The material described by Cs6WN4 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. W(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Cs(1), four equivalent Cs(2), and one W(1) atom. is represented by the CIF file [CIF]
data_Cs6WN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.947
_cell_length_b   8.947
_cell_length_c   7.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.371
_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  0.000  0.500  0.737  1.0
  Cs  Cs1  1  0.500  0.000  0.763  1.0
  Cs  Cs2  1  0.500  0.000  0.263  1.0
  Cs  Cs3  1  0.000  0.500  0.237  1.0
  Cs  Cs4  1  0.211  0.211  0.500  1.0
  Cs  Cs5  1  0.789  0.789  0.500  1.0
  Cs  Cs6  1  0.711  0.711  0.000  1.0
  Cs  Cs7  1  0.289  0.289  0.000  1.0
  Cs  Cs8  1  0.789  0.211  0.500  1.0
  Cs  Cs9  1  0.211  0.789  0.500  1.0
  Cs  Cs10  1  0.289  0.711  0.000  1.0
  Cs  Cs11  1  0.711  0.289  0.000  1.0
  W  W12  1  0.500  0.500  0.500  1.0
  W  W13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.318  0.500  0.371  1.0
  N  N15  1  0.682  0.500  0.371  1.0
  N  N16  1  0.818  0.000  0.129  1.0
  N  N17  1  0.182  0.000  0.129  1.0
  N  N18  1  0.500  0.318  0.629  1.0
  N  N19  1  0.500  0.682  0.629  1.0
  N  N20  1  0.000  0.818  0.871  1.0
  N  N21  1  0.000  0.182  0.871  1.0
[/CIF]
.
The material described by Cs6WN4 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. W(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Cs(1), four equivalent Cs(2), and one W(1) atom. is represented by the CIF file [CIF]
data_Cs6WN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.947
_cell_length_b   8.947
_cell_length_c   7.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.371
_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  0.000  0.500  0.737  1.0
  Cs  Cs1  1  0.500  0.000  0.763  1.0
  Cs  Cs2  1  0.500  0.000  0.263  1.0
  Cs  Cs3  1  0.000  0.500  0.237  1.0
  Cs  Cs4  1  0.211  0.211  0.500  1.0
  Cs  Cs5  1  0.789  0.789  0.500  1.0
  Cs  Cs6  1  0.711  0.711  0.000  1.0
  Cs  Cs7  1  0.289  0.289  0.000  1.0
  Cs  Cs8  1  0.789  0.211  0.500  1.0
  Cs  Cs9  1  0.211  0.789  0.500  1.0
  Cs  Cs10  1  0.289  0.711  0.000  1.0
  Cs  Cs11  1  0.711  0.289  0.000  1.0
  W  W12  1  0.500  0.500  0.500  1.0
  W  W13  1  0.000  0.000  0.000  1.0
  N  N14  1  0.318  0.500  0.371  1.0
  N  N15  1  0.682  0.500  0.371  1.0
  N  N16  1  0.818  0.000  0.129  1.0
  N  N17  1  0.182  0.000  0.129  1.0
  N  N18  1  0.500  0.318  0.629  1.0
  N  N19  1  0.500  0.682  0.629  1.0
  N  N20  1  0.000  0.818  0.871  1.0
  N  N21  1  0.000  0.182  0.871  1.0
[/CIF]
.