data_[Pr4Sm12Y4]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.4106]
_cell_length_b [3.6700]
_cell_length_c [8.6777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSm3Y]
_chemical_formula_sum '[Pr4 Sm12 Y4]'
_cell_volume [686.5327]
_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  0.0844  0.5000  0.5872  1.0
  Sm  Sm1  4  0.0167  0.0000  0.2146  1.0
  Sm  Sm2  4  0.1178  0.5000  0.0199  1.0
  Sm  Sm3  4  0.1845  0.0000  0.3846  1.0
  Y  Y4  4  0.2176  0.0000  0.8193  1.0
]