# generated using pymatgen
data_La3Th(Ga3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63161422
_cell_length_b   7.63244968
_cell_length_c   9.59251342
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.71850876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Th(Ga3Ir)6
_chemical_formula_sum   'La3 Th1 Ga18 Ir6'
_cell_volume   485.25308265
_cell_formula_units_Z   1
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  0.00113535  0.33025520  0.75000000  1.0
  La  La1  1  0.66952717  0.99834132  0.25000000  1.0
  La  La2  1  0.33135628  0.00226741  0.75000000  1.0
  Th  Th3  1  0.99911385  0.66948117  0.25000000  1.0
  Ga  Ga4  1  0.13385499  0.13327878  0.25000000  1.0
  Ga  Ga5  1  0.86701741  0.86759831  0.75000000  1.0
  Ga  Ga6  1  0.00421743  0.33271170  0.07640789  1.0
  Ga  Ga7  1  0.99524608  0.66550531  0.92315509  1.0
  Ga  Ga8  1  0.99524608  0.66550531  0.57684491  1.0
  Ga  Ga9  1  0.33671213  0.00617810  0.42346467  1.0
  Ga  Ga10  1  0.00421743  0.33271170  0.42359211  1.0
  Ga  Ga11  1  0.66547174  0.99498680  0.57526734  1.0
  Ga  Ga12  1  0.66547174  0.99498680  0.92473266  1.0
  Ga  Ga13  1  0.33671213  0.00617810  0.07653533  1.0
  Ga  Ga14  1  0.33682404  0.33691821  0.55829333  1.0
  Ga  Ga15  1  0.66188263  0.66336136  0.43903920  1.0
  Ga  Ga16  1  0.66188263  0.66336136  0.06096080  1.0
  Ga  Ga17  1  0.33682404  0.33691821  0.94170667  1.0
  Ga  Ga18  1  0.33839526  0.54121623  0.25000000  1.0
  Ga  Ga19  1  0.66053058  0.45831625  0.75000000  1.0
  Ga  Ga20  1  0.54190242  0.33992543  0.25000000  1.0
  Ga  Ga21  1  0.45710045  0.66094371  0.75000000  1.0
  Ir  Ir22  1  0.67232234  0.33157688  0.00197635  1.0
  Ir  Ir23  1  0.32750892  0.67034165  0.00215473  1.0
  Ir  Ir24  1  0.32750892  0.67034165  0.49784527  1.0
  Ir  Ir25  1  0.67232234  0.33157688  0.49802365  1.0
  Ir  Ir26  1  0.99985131  0.99760759  0.00236517  1.0
  Ir  Ir27  1  0.99985131  0.99760759  0.49763483  1.0