data_[Rb1Pr1Cu1Br6]
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 [P1]
_cell_length_a [6.9571]
_cell_length_b [7.1081]
_cell_length_c [7.7875]
_cell_angle_alpha [92.5035]
_cell_angle_beta [95.7523]
_cell_angle_gamma [112.8282]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbPrCuBr6]
_chemical_formula_sum '[Rb1 Pr1 Cu1 Br6]'
_cell_volume [351.7199]
_cell_formula_units_Z [1]
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  1  0.9552  0.0210  0.0011  1.0
  Pr  Pr1  1  0.3244  0.6931  0.5125  1.0
  Cu  Cu2  1  0.6947  0.3590  0.4703  1.0
  Br  Br3  1  0.3827  0.9742  0.7991  1.0
  Br  Br4  1  0.4029  0.3874  0.2813  1.0
  Br  Br5  1  0.6162  0.0152  0.3234  1.0
  Br  Br6  1  0.6514  0.5839  0.7026  1.0
  Br  Br7  1  0.9736  0.6216  0.2544  1.0
  Br  Br8  1  0.9992  0.3448  0.6551  1.0
]