data_[Pr6Sm8Y2]
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 [11.8920]
_cell_length_b [7.3478]
_cell_length_c [6.3708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Sm4Y]
_chemical_formula_sum '[Pr6 Sm8 Y2]'
_cell_volume [556.6802]
_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  4  0.2497  0.6258  0.5177  1.0
  Pr  Pr1  2  0.0000  0.3725  0.3517  1.0
  Sm  Sm2  4  0.2483  0.8767  0.0202  1.0
  Sm  Sm3  2  0.0000  0.1236  0.8504  1.0
  Sm  Sm4  2  0.0000  0.8774  0.3528  1.0
  Y  Y5  2  0.0000  0.6277  0.8540  1.0
]