data_[Pr2Y6P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.1263]
_cell_length_b [11.4911]
_cell_length_c [4.0647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [PrY3P4]
_chemical_formula_sum '[Pr2 Y6 P8]'
_cell_volume [379.5593]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.0000  1
  Y  Y1  4  0.2500  0.2500  0.5000  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  P  P3  4  0.0000  0.2537  0.0000  1
  P  P4  4  0.2425  0.5000  0.5000  1
]