data_[Pr4Y8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7512]
_cell_length_b [3.6224]
_cell_length_c [7.2331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY2]
_chemical_formula_sum '[Pr4 Y8]'
_cell_volume [401.4618]
_cell_formula_units_Z [4]
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  0.1666  0.0000  0.0841  1
  Y  Y1  4  0.0002  0.5000  0.2537  1
  Y  Y2  4  0.1659  0.0000  0.5817  1
]