data_[Pr4Sm20In12]
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 [I4/mcm]
_cell_length_a [8.7438]
_cell_length_b [8.7438]
_cell_length_c [14.3318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [PrSm5In3]
_chemical_formula_sum '[Pr4 Sm20 In12]'
_cell_volume [1095.7229]
_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  0.0000  0.5000  0.2500  1
  Sm  Sm1  16  0.2048  0.2952  0.3665  1
  Sm  Sm2  4  0.0000  0.0000  0.0000  1
  In  In3  8  0.1099  0.6099  0.5000  1
  In  In4  4  0.0000  0.0000  0.2500  1
]