The material described by La2NiGa12 crystallizes in the tetragonal P4/nbm space group. La(1) is bonded in a 14-coordinate geometry to two equivalent Ga(4), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent La(1), one Ga(3), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent Ni(1), one Ga(2), and two equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent La(1), one Ga(1), and four equivalent Ga(4) atoms. In the fourth Ga site, Ga(4) is bonded in a 4-coordinate geometry to one La(1), one Ga(4), and two equivalent Ga(3) atoms. is represented by the CIF file [CIF]
data_La2Ga12Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.123
_cell_length_b   6.123
_cell_length_c   15.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   592.498
_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
  La  La0  1  0.500  0.000  0.244  1.0
  La  La1  1  0.000  0.500  0.244  1.0
  La  La2  1  0.000  0.500  0.756  1.0
  La  La3  1  0.500  0.000  0.756  1.0
  Ga  Ga4  1  0.500  0.500  0.819  1.0
  Ga  Ga5  1  0.000  0.000  0.819  1.0
  Ga  Ga6  1  0.750  0.750  0.917  1.0
  Ga  Ga7  1  0.250  0.750  0.917  1.0
  Ga  Ga8  1  0.000  0.000  0.339  1.0
  Ga  Ga9  1  0.250  0.750  0.083  1.0
  Ga  Ga10  1  0.817  0.317  0.572  1.0
  Ga  Ga11  1  0.500  0.500  0.339  1.0
  Ga  Ga12  1  0.250  0.250  0.917  1.0
  Ga  Ga13  1  0.750  0.750  0.083  1.0
  Ga  Ga14  1  0.317  0.183  0.572  1.0
  Ga  Ga15  1  0.683  0.183  0.428  1.0
  Ga  Ga16  1  0.000  0.000  0.661  1.0
  Ga  Ga17  1  0.183  0.317  0.428  1.0
  Ga  Ga18  1  0.250  0.250  0.083  1.0
  Ga  Ga19  1  0.817  0.683  0.428  1.0
  Ga  Ga20  1  0.683  0.817  0.572  1.0
  Ga  Ga21  1  0.000  0.000  0.181  1.0
  Ga  Ga22  1  0.183  0.683  0.572  1.0
  Ga  Ga23  1  0.500  0.500  0.661  1.0
  Ga  Ga24  1  0.750  0.250  0.917  1.0
  Ga  Ga25  1  0.500  0.500  0.181  1.0
  Ga  Ga26  1  0.317  0.817  0.428  1.0
  Ga  Ga27  1  0.750  0.250  0.083  1.0
  Ni  Ni28  1  0.500  0.000  0.000  1.0
  Ni  Ni29  1  0.000  0.500  0.000  1.0
[/CIF]
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The material described by La2NiGa12 crystallizes in the tetragonal P4/nbm space group. La(1) is bonded in a 14-coordinate geometry to two equivalent Ga(4), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ga(3) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(2) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent La(1), one Ga(3), and four equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent Ni(1), one Ga(2), and two equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to four equivalent La(1), one Ga(1), and four equivalent Ga(4) atoms. In the fourth Ga site, Ga(4) is bonded in a 4-coordinate geometry to one La(1), one Ga(4), and two equivalent Ga(3) atoms. is represented by the CIF file [CIF]
data_La2Ga12Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.123
_cell_length_b   6.123
_cell_length_c   15.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   592.498
_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
  La  La0  1  0.500  0.000  0.244  1.0
  La  La1  1  0.000  0.500  0.244  1.0
  La  La2  1  0.000  0.500  0.756  1.0
  La  La3  1  0.500  0.000  0.756  1.0
  Ga  Ga4  1  0.500  0.500  0.819  1.0
  Ga  Ga5  1  0.000  0.000  0.819  1.0
  Ga  Ga6  1  0.750  0.750  0.917  1.0
  Ga  Ga7  1  0.250  0.750  0.917  1.0
  Ga  Ga8  1  0.000  0.000  0.339  1.0
  Ga  Ga9  1  0.250  0.750  0.083  1.0
  Ga  Ga10  1  0.817  0.317  0.572  1.0
  Ga  Ga11  1  0.500  0.500  0.339  1.0
  Ga  Ga12  1  0.250  0.250  0.917  1.0
  Ga  Ga13  1  0.750  0.750  0.083  1.0
  Ga  Ga14  1  0.317  0.183  0.572  1.0
  Ga  Ga15  1  0.683  0.183  0.428  1.0
  Ga  Ga16  1  0.000  0.000  0.661  1.0
  Ga  Ga17  1  0.183  0.317  0.428  1.0
  Ga  Ga18  1  0.250  0.250  0.083  1.0
  Ga  Ga19  1  0.817  0.683  0.428  1.0
  Ga  Ga20  1  0.683  0.817  0.572  1.0
  Ga  Ga21  1  0.000  0.000  0.181  1.0
  Ga  Ga22  1  0.183  0.683  0.572  1.0
  Ga  Ga23  1  0.500  0.500  0.661  1.0
  Ga  Ga24  1  0.750  0.250  0.917  1.0
  Ga  Ga25  1  0.500  0.500  0.181  1.0
  Ga  Ga26  1  0.317  0.817  0.428  1.0
  Ga  Ga27  1  0.750  0.250  0.083  1.0
  Ni  Ni28  1  0.500  0.000  0.000  1.0
  Ni  Ni29  1  0.000  0.500  0.000  1.0
[/CIF]
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