data_[Pr10Sm2Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0187]
_cell_length_b [13.8853]
_cell_length_c [8.0153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5SmBi6]
_chemical_formula_sum '[Pr10 Sm2 Bi12]'
_cell_volume [841.8322]
_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
[
  Pr  Pr0  4  0.0000  0.1678  0.5000  1.0
  Pr  Pr1  4  0.0000  0.3337  0.0000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  8  0.2478  0.1653  0.2479  1.0
  Bi  Bi5  4  0.2473  0.0000  0.7510  1.0
]