data_[Pr8Sb6As2]
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 [Cmmm]
_cell_length_a [9.0079]
_cell_length_b [12.7191]
_cell_length_c [4.4924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr4Sb3As]
_chemical_formula_sum '[Pr8 Sb6 As2]'
_cell_volume [514.7063]
_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  0.0000  0.2446  0.5000  1
  Pr  Pr1  4  0.2395  0.0000  0.0000  1
  Sb  Sb2  4  0.2500  0.2500  0.0000  1
  Sb  Sb3  2  0.0000  0.5000  0.5000  1
  As  As4  2  0.0000  0.0000  0.5000  1
]