data_[Pr5Sm3]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7188]
_cell_length_b [5.9769]
_cell_length_c [13.1410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr5Sm3]
_chemical_formula_sum '[Pr5 Sm3]'
_cell_volume [292.0830]
_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  0.4618  1.0
  Pr  Pr1  1  0.0000  0.0000  0.9556  1.0
  Pr  Pr2  1  0.0000  0.5000  0.2935  1.0
  Pr  Pr3  1  0.5000  0.0000  0.2090  1.0
  Pr  Pr4  1  0.5000  0.5000  0.0386  1.0
  Sm  Sm5  1  0.0000  0.5000  0.7893  1.0
  Sm  Sm6  1  0.5000  0.0000  0.7080  1.0
  Sm  Sm7  1  0.5000  0.5000  0.5442  1.0
]