data_[Pr8Sm6In2]
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 [11.6511]
_cell_length_b [7.2229]
_cell_length_c [6.3247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4Sm3In]
_chemical_formula_sum '[Pr8 Sm6 In2]'
_cell_volume [532.2479]
_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  0.2282  0.3658  0.9863  1.0
  Pr  Pr1  2  0.0000  0.3708  0.6207  1.0
  Pr  Pr2  2  0.0000  0.6296  0.1757  1.0
  Sm  Sm3  4  0.2447  0.8844  0.9727  1.0
  Sm  Sm4  2  0.0000  0.8739  0.6501  1.0
  In  In5  2  0.0000  0.1100  0.1508  1.0
]