data_[Pr8Sm8In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4558]
_cell_length_b [5.6150]
_cell_length_c [9.6742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm2In]
_chemical_formula_sum '[Pr8 Sm8 In4]'
_cell_volume [652.0782]
_cell_formula_units_Z [4]
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  0.0222  0.0000  0.3396  1.0
  Pr  Pr1  4  0.1610  0.0000  0.0534  1.0
  Sm  Sm2  4  0.0235  0.5000  0.8426  1.0
  Sm  Sm3  4  0.1556  0.5000  0.5520  1.0
  In  In4  4  0.2470  0.5000  0.2567  1.0
]