# generated using pymatgen
data_Tb3ThHgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71498139
_cell_length_b   9.71498148
_cell_length_c   9.71498166
_cell_angle_alpha   59.99999937
_cell_angle_beta   59.99999909
_cell_angle_gamma   59.99999773
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3ThHgIr
_chemical_formula_sum   'Tb12 Th4 Hg4 Ir4'
_cell_volume   648.35210429
_cell_formula_units_Z   4
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
  Tb  Tb0  1  0.06063902  0.43936098  0.43936098  1.0
  Tb  Tb1  1  0.43936098  0.06063902  0.06063902  1.0
  Tb  Tb2  1  0.43936098  0.06063902  0.43936098  1.0
  Tb  Tb3  1  0.06063902  0.43936098  0.06063902  1.0
  Tb  Tb4  1  0.43936098  0.43936098  0.06063902  1.0
  Tb  Tb5  1  0.06063902  0.06063902  0.43936098  1.0
  Tb  Tb6  1  0.18651836  0.81348164  0.81348164  1.0
  Tb  Tb7  1  0.81348164  0.18651836  0.18651836  1.0
  Tb  Tb8  1  0.81348164  0.18651836  0.81348164  1.0
  Tb  Tb9  1  0.18651836  0.81348164  0.18651836  1.0
  Tb  Tb10  1  0.81348164  0.81348164  0.18651836  1.0
  Tb  Tb11  1  0.18651836  0.18651836  0.81348164  1.0
  Th  Th12  1  0.60092241  0.60092241  0.60092241  1.0
  Th  Th13  1  0.60092241  0.60092241  0.19723377  1.0
  Th  Th14  1  0.60092241  0.19723377  0.60092241  1.0
  Th  Th15  1  0.19723377  0.60092241  0.60092241  1.0
  Hg  Hg16  1  0.83857965  0.83857965  0.83857965  1.0
  Hg  Hg17  1  0.83857965  0.83857965  0.48426104  1.0
  Hg  Hg18  1  0.83857965  0.48426104  0.83857965  1.0
  Hg  Hg19  1  0.48426104  0.83857965  0.83857965  1.0
  Ir  Ir20  1  0.39326635  0.39326635  0.39326635  1.0
  Ir  Ir21  1  0.39326635  0.39326635  0.82020096  1.0
  Ir  Ir22  1  0.39326635  0.82020096  0.39326635  1.0
  Ir  Ir23  1  0.82020096  0.39326635  0.39326635  1.0