data_[Pr3Sm2Y7]
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 [5.9117]
_cell_length_b [3.6161]
_cell_length_c [19.1248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr3Sm2Y7]
_chemical_formula_sum '[Pr3 Sm2 Y7]'
_cell_volume [408.3282]
_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  0.2206  0.0000  0.3668  1.0
  Pr  Pr1  1  0.5000  0.5000  0.0000  1.0
  Sm  Sm2  2  0.2896  0.5000  0.7081  1.0
  Y  Y3  2  0.1928  0.5000  0.1745  1.0
  Y  Y4  2  0.2576  0.5000  0.5384  1.0
  Y  Y5  2  0.3119  0.0000  0.8566  1.0
  Y  Y6  1  0.0000  0.0000  0.0000  1.0
]