data_[Pr6Y5]
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 [Pm]
_cell_length_a [10.2368]
_cell_length_b [15.0000]
_cell_length_c [11.9098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Pr6Y5]
_chemical_formula_sum '[Pr6 Y5]'
_cell_volume [1828.7629]
_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  0.2216  0.5000  0.9593  1
  Pr  Pr1  1  0.2227  0.5000  0.4523  1
  Pr  Pr2  1  0.3927  0.5000  0.7030  1
  Pr  Pr3  1  0.5551  0.5000  0.4596  1
  Pr  Pr4  1  0.7249  0.5000  0.7068  1
  Pr  Pr5  1  0.8835  0.5000  0.9562  1
  Y  Y6  1  0.0536  0.5000  0.7062  1
  Y  Y7  1  0.0659  0.5000  0.2068  1
  Y  Y8  1  0.3905  0.5000  0.2056  1
  Y  Y9  1  0.5506  0.5000  0.9460  1
  Y  Y10  1  0.8912  0.5000  0.4600  1
]