# generated using pymatgen
data_LaThNi7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01204443
_cell_length_b   5.10001947
_cell_length_c   8.77187410
_cell_angle_alpha   92.73197416
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaThNi7Ir3
_chemical_formula_sum   'La1 Th1 Ni7 Ir3'
_cell_volume   179.28174533
_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  0.00000000  0.00000000  0.00000000  1.0
  Th  Th1  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.98909036  0.34029603  1.0
  Ni  Ni3  1  0.00000000  0.48053759  0.82770765  1.0
  Ni  Ni4  1  0.00000000  0.51946241  0.17229235  1.0
  Ni  Ni5  1  0.00000000  0.01090964  0.65970397  1.0
  Ni  Ni6  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni7  1  0.50000000  0.75742183  0.25474388  1.0
  Ni  Ni8  1  0.50000000  0.24257817  0.74525612  1.0
  Ir  Ir9  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir10  1  0.50000000  0.25537027  0.26052237  1.0
  Ir  Ir11  1  0.50000000  0.74462973  0.73947763  1.0