data_[Pr2Nd1Sm1Bi5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5667]
_cell_length_b [5.5667]
_cell_length_c [12.1090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr2NdSmBi5]
_chemical_formula_sum '[Pr2 Nd1 Sm1 Bi5]'
_cell_volume [375.2331]
_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  2  0.5000  0.5000  0.2741  1
  Nd  Nd1  1  0.0000  0.0000  0.5000  1
  Sm  Sm2  1  0.0000  0.0000  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.2451  1
  Bi  Bi4  2  0.0000  0.5000  0.5000  1
  Bi  Bi5  1  0.5000  0.5000  0.0000  1
]