data_[Pr2Sm8Y6]
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 [Pmn2_1]
_cell_length_a [11.6412]
_cell_length_b [7.3528]
_cell_length_c [6.3649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [PrSm4Y3]
_chemical_formula_sum '[Pr2 Sm8 Y6]'
_cell_volume [544.8086]
_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  2  0.0000  0.3733  0.1452  1.0
  Sm  Sm1  4  0.2477  0.8757  0.4805  1.0
  Sm  Sm2  2  0.0000  0.1248  0.6526  1.0
  Sm  Sm3  2  0.0000  0.8740  0.1473  1.0
  Y  Y4  4  0.2499  0.3756  0.4814  1.0
  Y  Y5  2  0.0000  0.6246  0.6463  1.0
]