data_[Rb4Pr2Cu2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3217]
_cell_length_b [8.9704]
_cell_length_c [13.0149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2PrCuBr6]
_chemical_formula_sum '[Rb4 Pr2 Cu2 Br12]'
_cell_volume [751.0933]
_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
[
  Rb  Rb0  4  0.2718  0.5814  0.7525  1.0
  Pr  Pr1  2  0.5000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1187  0.5287  0.2142  1.0
  Br  Br4  4  0.2597  0.1730  0.0482  1.0
  Br  Br5  4  0.3717  0.7249  0.0475  1.0
]