data_[Pr12Bi2Sb4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4278]
_cell_length_b [4.4301]
_cell_length_c [8.9238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6BiSb2As3]
_chemical_formula_sum '[Pr12 Bi2 Sb4 As6]'
_cell_volume [745.2815]
_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  0.0037  0.0000  0.7371  1
  Pr  Pr1  4  0.1636  0.5000  0.5916  1
  Pr  Pr2  4  0.1718  0.5000  0.0754  1
  Bi  Bi3  2  0.0000  0.5000  0.0000  1
  Sb  Sb4  4  0.1665  0.0000  0.3329  1
  As  As5  4  0.1665  0.0000  0.8328  1
  As  As6  2  0.0000  0.5000  0.5000  1
]