data_[Pr1Sm8Y3]
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 [P1]
_cell_length_a [6.6875]
_cell_length_b [8.5618]
_cell_length_c [8.5871]
_cell_angle_alpha [102.6231]
_cell_angle_beta [109.6113]
_cell_angle_gamma [109.5288]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PrSm8Y3]
_chemical_formula_sum '[Pr1 Sm8 Y3]'
_cell_volume [405.0823]
_cell_formula_units_Z [1]
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  1  0.9135  0.8624  0.8010  1
  Sm  Sm1  1  0.4132  0.7179  0.9485  1
  Sm  Sm2  1  0.4158  0.9775  0.6871  1
  Sm  Sm3  1  0.4195  0.3121  0.0228  1
  Sm  Sm4  1  0.4221  0.0537  0.2846  1
  Sm  Sm5  1  0.9120  0.6053  0.0617  1
  Sm  Sm6  1  0.9182  0.2735  0.7302  1
  Sm  Sm7  1  0.9195  0.1994  0.1361  1
  Sm  Sm8  1  0.9196  0.9393  0.3944  1
  Y  Y9  1  0.4145  0.3845  0.6140  1
  Y  Y10  1  0.4148  0.6439  0.3525  1
  Y  Y11  1  0.9174  0.5306  0.4670  1
]