data_[Pr1Sm3Y7]
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 [P2/m]
_cell_length_a [6.9777]
_cell_length_b [5.5882]
_cell_length_c [10.1155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrSm3Y7]
_chemical_formula_sum '[Pr1 Sm3 Y7]'
_cell_volume [371.3772]
_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  0.5000  0.0000  0.5000  1
  Sm  Sm1  2  0.2185  0.5000  0.0018  1
  Sm  Sm2  1  0.0000  0.0000  0.5000  1
  Y  Y3  2  0.0803  0.0000  0.1699  1
  Y  Y4  2  0.1797  0.5000  0.3617  1
  Y  Y5  2  0.3543  0.5000  0.7129  1
  Y  Y6  1  0.5000  0.0000  0.0000  1
]