data_[Pr4Sm16In4]
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 [Cmc2_1]
_cell_length_a [4.9295]
_cell_length_b [15.2897]
_cell_length_c [10.0826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrSm4In]
_chemical_formula_sum '[Pr4 Sm16 In4]'
_cell_volume [759.9238]
_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  0.3313  0.3034  1.0
  Sm  Sm1  4  0.0000  0.0013  0.3023  1.0
  Sm  Sm2  4  0.0000  0.1732  0.5526  1.0
  Sm  Sm3  4  0.0000  0.3326  0.8019  1.0
  Sm  Sm4  4  0.0000  0.4934  0.5523  1.0
  In  In5  4  0.0000  0.1662  0.0541  1.0
]