data_[Pr6Hf2P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.1701]
_cell_length_b [11.4851]
_cell_length_c [4.0583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr3HfP4]
_chemical_formula_sum '[Pr6 Hf2 P8]'
_cell_volume [380.8082]
_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  4  0.2500  0.2500  0.0000  1
  Pr  Pr1  2  0.0000  0.5000  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  P  P3  4  0.0000  0.2369  0.5000  1
  P  P4  4  0.2269  0.0000  0.0000  1
]