data_[Pr2Sm6Bi8]
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 [Cmmm]
_cell_length_a [9.1518]
_cell_length_b [12.9320]
_cell_length_c [4.5909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [PrSm3Bi4]
_chemical_formula_sum '[Pr2 Sm6 Bi8]'
_cell_volume [543.3381]
_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  2  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  4  0.2500  0.2500  0.0000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.2518  0.5000  1.0
  Bi  Bi4  4  0.2464  0.5000  0.0000  1.0
]