data_[Pr10Sb8P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0320]
_cell_length_b [10.0320]
_cell_length_c [6.3646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pr5Sb4P]
_chemical_formula_sum '[Pr10 Sb8 P2]'
_cell_volume [640.5489]
_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  8  0.0968  0.2854  0.0000  1
  Pr  Pr1  2  0.0000  0.0000  0.5000  1
  Sb  Sb2  8  0.0952  0.3021  0.5000  1
  P  P3  2  0.0000  0.0000  0.0000  1
]