data_[Th2Bi2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5525]
_cell_length_b [3.5525]
_cell_length_c [12.0660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [ThBiRh]
_chemical_formula_sum '[Th2 Bi2 Rh2]'
_cell_volume [152.2735]
_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
[
  Th  Th0  2  0.0000  0.0000  0.6489  1
  Bi  Bi1  2  0.0000  0.0000  0.9315  1
  Rh  Rh2  2  0.0000  0.0000  0.2696  1
]