data_[Pr3Y5]
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 [Pmm2]
_cell_length_a [3.6567]
_cell_length_b [5.8544]
_cell_length_c [12.9403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr3Y5]
_chemical_formula_sum '[Pr3 Y5]'
_cell_volume [277.0260]
_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  0.0000  0.5000  0.7928  1.0
  Pr  Pr1  1  0.5000  0.0000  0.7142  1.0
  Pr  Pr2  1  0.5000  0.5000  0.5371  1.0
  Y  Y3  1  0.0000  0.0000  0.4520  1.0
  Y  Y4  1  0.0000  0.0000  0.9639  1.0
  Y  Y5  1  0.0000  0.5000  0.2880  1.0
  Y  Y6  1  0.5000  0.0000  0.2070  1.0
  Y  Y7  1  0.5000  0.5000  0.0452  1.0
]