data_[Pr6As2Pb2Br2]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6807]
_cell_length_b [4.2805]
_cell_length_c [11.7752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3AsPbBr]
_chemical_formula_sum '[Pr6 As2 Pb2 Br2]'
_cell_volume [378.1172]
_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  2  0.0457  0.7500  0.1448  1.0
  Pr  Pr1  2  0.2821  0.7500  0.4978  1.0
  Pr  Pr2  2  0.4534  0.2500  0.8469  1.0
  As  As3  2  0.2341  0.7500  0.9422  1.0
  Pb  Pb4  2  0.3479  0.2500  0.3028  1.0
  Br  Br5  2  0.1230  0.2500  0.6347  1.0
]