data_[Pr1Sm2Y1Bi5]
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
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5978]
_cell_length_b [5.5978]
_cell_length_c [11.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PrSm2YBi5]
_chemical_formula_sum '[Pr1 Sm2 Y1 Bi5]'
_cell_volume [374.7295]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Sm  Sm1  2  0.5000  0.5000  0.2727  1
  Y  Y2  1  0.0000  0.0000  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.2422  1
  Bi  Bi4  2  0.0000  0.5000  0.5000  1
  Bi  Bi5  1  0.5000  0.5000  0.0000  1
]