data_[Pr6Sm8In2]
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 [Pmn2_1]
_cell_length_a [11.5532]
_cell_length_b [7.2167]
_cell_length_c [6.3265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Sm4In]
_chemical_formula_sum '[Pr6 Sm8 In2]'
_cell_volume [527.4847]
_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  4  0.2414  0.8816  0.1549  1.0
  Pr  Pr1  2  0.0000  0.8710  0.4935  1.0
  Sm  Sm2  4  0.2331  0.3727  0.1412  1.0
  Sm  Sm3  2  0.0000  0.3721  0.4924  1.0
  Sm  Sm4  2  0.0000  0.6241  0.9582  1.0
  In  In5  2  0.0000  0.1278  0.9790  1.0
]