data_[Tm24Cd4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.9225]
_cell_length_b [11.5673]
_cell_length_c [8.3046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm6CdBi3]
_chemical_formula_sum '[Tm24 Cd4 Bi12]'
_cell_volume [1145.2995]
_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
[
  Tm  Tm0  8  0.0000  0.1618  0.5051  1.0
  Tm  Tm1  8  0.1593  0.5000  0.0000  1.0
  Tm  Tm2  8  0.2465  0.2525  0.7500  1.0
  Cd  Cd3  4  0.0000  0.3562  0.7500  1.0
  Bi  Bi4  8  0.1452  0.0001  0.7500  1.0
  Bi  Bi5  4  0.0000  0.3606  0.2500  1.0
]