data_[Pr8Sm2Y6]
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 [11.8542]
_cell_length_b [7.3527]
_cell_length_c [6.3821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4SmY3]
_chemical_formula_sum '[Pr8 Sm2 Y6]'
_cell_volume [556.2687]
_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  0.2483  0.1258  0.5200  1.0
  Pr  Pr1  2  0.0000  0.1286  0.8538  1.0
  Pr  Pr2  2  0.0000  0.8727  0.3471  1.0
  Sm  Sm3  2  0.0000  0.6239  0.8489  1.0
  Y  Y4  4  0.2500  0.3793  0.0216  1.0
  Y  Y5  2  0.0000  0.3791  0.3516  1.0
]