data_[Pr2Sm5Y2]
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 [P-1]
_cell_length_a [6.2951]
_cell_length_b [6.2953]
_cell_length_c [8.1273]
_cell_angle_alpha [82.6024]
_cell_angle_beta [75.0671]
_cell_angle_gamma [80.2330]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2Sm5Y2]
_chemical_formula_sum '[Pr2 Sm5 Y2]'
_cell_volume [305.4649]
_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  2  0.4439  0.8893  0.2226  1
  Sm  Sm1  2  0.1107  0.2229  0.5557  1
  Sm  Sm2  2  0.2214  0.4451  0.1120  1
  Sm  Sm3  1  0.0000  0.0000  0.0000  1
  Y  Y4  2  0.3326  0.6663  0.6661  1
]