data_[Cs4Pr2In2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3430]
_cell_length_b [8.7815]
_cell_length_c [14.5892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2PrInBr6]
_chemical_formula_sum '[Cs4 Pr2 In2 Br12]'
_cell_volume [882.0000]
_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
[
  Cs  Cs0  4  0.2724  0.5668  0.7503  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1464  0.5243  0.2357  1.0
  Br  Br4  4  0.2302  0.2207  0.0471  1.0
  Br  Br5  4  0.3291  0.6864  0.0435  1.0
]