data_[Pr36Sm21In3]
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 [R-3]
_cell_length_a [12.4858]
_cell_length_b [12.4858]
_cell_length_c [15.5672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Sm7In]
_chemical_formula_sum '[Pr36 Sm21 In3]'
_cell_volume [2101.7240]
_cell_formula_units_Z [3]
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  18  0.0303  0.5831  0.7081  1
  Pr  Pr1  18  0.0574  0.4705  0.0862  1
  Sm  Sm2  18  0.0526  0.8694  0.8027  1
  Sm  Sm3  3  -0.0000  0.0000  0.5000  1
  In  In4  3  0.0000  0.0000  0.0000  1
]