The structure described by Cs3Li2Al(MoO4)4 crystallizes in the tetragonal I-42d space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted CsO12 cuboctahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with four equivalent Cs(1)O12 cuboctahedra, edges with four equivalent Cs(2)O12 cuboctahedra, edges with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Al(1)O4 tetrahedra, and edges with four equivalent Mo(1)O4 tetrahedra. In the second Cs site, Cs(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted CsO12 cuboctahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with eight equivalent Cs(1)O12 cuboctahedra, edges with four equivalent Li(1)O4 tetrahedra, and edges with four equivalent Mo(1)O4 tetrahedra. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with two equivalent Cs(1)O12 cuboctahedra, and edges with two equivalent Cs(2)O12 cuboctahedra. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Cs(2)O12 cuboctahedra, corners with two equivalent Cs(1)O12 cuboctahedra,  a cornercorner with one Al(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cs(2)O12 cuboctahedra, and edges with two equivalent Cs(1)O12 cuboctahedra. Al(1) is bonded to four equivalent O(4) atoms to form AlO4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra and edges with four equivalent Cs(1)O12 cuboctahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Mo(1), and one Al(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Cs(2), one Li(1), and one Mo(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(1), one Cs(2), one Li(1), and one Mo(1) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Li2Al(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.836
_cell_length_b   10.836
_cell_length_c   10.836
_cell_angle_alpha   108.810
_cell_angle_beta   108.810
_cell_angle_gamma   110.802
_symmetry_Int_Tables_number   1
_cell_volume   979.170
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cs  Cs0  1  0.763  0.375  0.888  1.0
  Cs  Cs1  1  0.487  0.875  0.112  1.0
  Cs  Cs2  1  0.125  0.237  0.612  1.0
  Cs  Cs3  1  0.625  0.513  0.388  1.0
  Cs  Cs4  1  0.000  0.000  0.000  1.0
  Cs  Cs5  1  0.250  0.750  0.500  1.0
  Li  Li6  1  0.249  0.375  0.374  1.0
  Li  Li7  1  0.001  0.875  0.626  1.0
  Li  Li8  1  0.125  0.751  0.126  1.0
  Li  Li9  1  0.625  0.999  0.874  1.0
  Al  Al10  1  0.500  0.500  0.000  1.0
  Al  Al11  1  0.750  0.250  0.500  1.0
  Mo  Mo12  1  0.381  0.126  0.444  1.0
  Mo  Mo13  1  0.682  0.938  0.556  1.0
  Mo  Mo14  1  0.062  0.619  0.745  1.0
  Mo  Mo15  1  0.869  0.812  0.245  1.0
  Mo  Mo16  1  0.874  0.318  0.255  1.0
  Mo  Mo17  1  0.568  0.624  0.755  1.0
  Mo  Mo18  1  0.188  0.432  0.056  1.0
  Mo  Mo19  1  0.376  0.131  0.944  1.0
  O  O20  1  0.246  0.379  0.194  1.0
  O  O21  1  0.185  0.052  0.806  1.0
  O  O22  1  0.948  0.754  0.133  1.0
  O  O23  1  0.004  0.698  0.633  1.0
  O  O24  1  0.621  0.815  0.867  1.0
  O  O25  1  0.065  0.371  0.367  1.0
  O  O26  1  0.302  0.935  0.306  1.0
  O  O27  1  0.629  0.996  0.694  1.0
  O  O28  1  0.270  0.203  0.380  1.0
  O  O29  1  0.823  0.889  0.620  1.0
  O  O30  1  0.111  0.730  0.933  1.0
  O  O31  1  0.980  0.861  0.433  1.0
  O  O32  1  0.797  0.177  0.067  1.0
  O  O33  1  0.427  0.547  0.567  1.0
  O  O34  1  0.139  0.573  0.120  1.0
  O  O35  1  0.453  0.020  0.880  1.0
  O  O36  1  0.521  0.772  0.395  1.0
  O  O37  1  0.377  0.126  0.605  1.0
  O  O38  1  0.874  0.479  0.251  1.0
  O  O39  1  0.729  0.624  0.751  1.0
  O  O40  1  0.228  0.623  0.749  1.0
  O  O41  1  0.873  0.978  0.249  1.0
  O  O42  1  0.376  0.127  0.105  1.0
  O  O43  1  0.022  0.271  0.895  1.0
  O  O44  1  0.585  0.246  0.498  1.0
  O  O45  1  0.748  0.087  0.502  1.0
  O  O46  1  0.913  0.415  0.661  1.0
  O  O47  1  0.665  0.663  0.161  1.0
  O  O48  1  0.754  0.252  0.339  1.0
  O  O49  1  0.502  0.504  0.839  1.0
  O  O50  1  0.337  0.498  0.002  1.0
  O  O51  1  0.496  0.335  0.998  1.0
[/CIF]
.
The structure described by Cs3Li2Al(MoO4)4 crystallizes in the tetragonal I-42d space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted CsO12 cuboctahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with four equivalent Cs(1)O12 cuboctahedra, edges with four equivalent Cs(2)O12 cuboctahedra, edges with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Al(1)O4 tetrahedra, and edges with four equivalent Mo(1)O4 tetrahedra. In the second Cs site, Cs(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted CsO12 cuboctahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with eight equivalent Cs(1)O12 cuboctahedra, edges with four equivalent Li(1)O4 tetrahedra, and edges with four equivalent Mo(1)O4 tetrahedra. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra, edges with two equivalent Cs(1)O12 cuboctahedra, and edges with two equivalent Cs(2)O12 cuboctahedra. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Cs(2)O12 cuboctahedra, corners with two equivalent Cs(1)O12 cuboctahedra,  a cornercorner with one Al(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cs(2)O12 cuboctahedra, and edges with two equivalent Cs(1)O12 cuboctahedra. Al(1) is bonded to four equivalent O(4) atoms to form AlO4 tetrahedra that share corners with four equivalent Mo(1)O4 tetrahedra and edges with four equivalent Cs(1)O12 cuboctahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Mo(1), and one Al(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Cs(2), one Li(1), and one Mo(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(1), one Cs(2), one Li(1), and one Mo(1) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Li2Al(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.836
_cell_length_b   10.836
_cell_length_c   10.836
_cell_angle_alpha   108.810
_cell_angle_beta   108.810
_cell_angle_gamma   110.802
_symmetry_Int_Tables_number   1
_cell_volume   979.170
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cs  Cs0  1  0.763  0.375  0.888  1.0
  Cs  Cs1  1  0.487  0.875  0.112  1.0
  Cs  Cs2  1  0.125  0.237  0.612  1.0
  Cs  Cs3  1  0.625  0.513  0.388  1.0
  Cs  Cs4  1  0.000  0.000  0.000  1.0
  Cs  Cs5  1  0.250  0.750  0.500  1.0
  Li  Li6  1  0.249  0.375  0.374  1.0
  Li  Li7  1  0.001  0.875  0.626  1.0
  Li  Li8  1  0.125  0.751  0.126  1.0
  Li  Li9  1  0.625  0.999  0.874  1.0
  Al  Al10  1  0.500  0.500  0.000  1.0
  Al  Al11  1  0.750  0.250  0.500  1.0
  Mo  Mo12  1  0.381  0.126  0.444  1.0
  Mo  Mo13  1  0.682  0.938  0.556  1.0
  Mo  Mo14  1  0.062  0.619  0.745  1.0
  Mo  Mo15  1  0.869  0.812  0.245  1.0
  Mo  Mo16  1  0.874  0.318  0.255  1.0
  Mo  Mo17  1  0.568  0.624  0.755  1.0
  Mo  Mo18  1  0.188  0.432  0.056  1.0
  Mo  Mo19  1  0.376  0.131  0.944  1.0
  O  O20  1  0.246  0.379  0.194  1.0
  O  O21  1  0.185  0.052  0.806  1.0
  O  O22  1  0.948  0.754  0.133  1.0
  O  O23  1  0.004  0.698  0.633  1.0
  O  O24  1  0.621  0.815  0.867  1.0
  O  O25  1  0.065  0.371  0.367  1.0
  O  O26  1  0.302  0.935  0.306  1.0
  O  O27  1  0.629  0.996  0.694  1.0
  O  O28  1  0.270  0.203  0.380  1.0
  O  O29  1  0.823  0.889  0.620  1.0
  O  O30  1  0.111  0.730  0.933  1.0
  O  O31  1  0.980  0.861  0.433  1.0
  O  O32  1  0.797  0.177  0.067  1.0
  O  O33  1  0.427  0.547  0.567  1.0
  O  O34  1  0.139  0.573  0.120  1.0
  O  O35  1  0.453  0.020  0.880  1.0
  O  O36  1  0.521  0.772  0.395  1.0
  O  O37  1  0.377  0.126  0.605  1.0
  O  O38  1  0.874  0.479  0.251  1.0
  O  O39  1  0.729  0.624  0.751  1.0
  O  O40  1  0.228  0.623  0.749  1.0
  O  O41  1  0.873  0.978  0.249  1.0
  O  O42  1  0.376  0.127  0.105  1.0
  O  O43  1  0.022  0.271  0.895  1.0
  O  O44  1  0.585  0.246  0.498  1.0
  O  O45  1  0.748  0.087  0.502  1.0
  O  O46  1  0.913  0.415  0.661  1.0
  O  O47  1  0.665  0.663  0.161  1.0
  O  O48  1  0.754  0.252  0.339  1.0
  O  O49  1  0.502  0.504  0.839  1.0
  O  O50  1  0.337  0.498  0.002  1.0
  O  O51  1  0.496  0.335  0.998  1.0
[/CIF]
.