data_[Pr16Sb10As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.4857]
_cell_length_b [9.4857]
_cell_length_c [9.5854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pr8Sb5As]
_chemical_formula_sum '[Pr16 Sb10 As2]'
_cell_volume [862.4872]
_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  0.0699  0.6780  0.4472  1
  Pr  Pr1  8  0.0703  0.8072  0.8014  1
  Sb  Sb2  8  0.1208  0.7526  0.1261  1
  Sb  Sb3  2  0.0000  0.0000  0.5000  1
  As  As4  2  0.0000  0.5000  0.7500  1
]