data_[Pr12As2P4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2027]
_cell_length_b [4.2431]
_cell_length_c [8.8431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6AsP2Br3]
_chemical_formula_sum '[Pr12 As2 P4 Br6]'
_cell_volume [689.5976]
_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  0.0136  0.0000  0.2314  1.0
  Pr  Pr1  4  0.1592  0.5000  0.1158  1.0
  Pr  Pr2  4  0.1777  0.5000  0.5559  1.0
  As  As3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1679  0.0000  0.3348  1.0
  Br  Br5  4  0.1657  0.0000  0.8331  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]