data_[Rb2Pr1Cu1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0448]
_cell_length_b [7.5967]
_cell_length_c [7.6685]
_cell_angle_alpha [103.1591]
_cell_angle_beta [107.9552]
_cell_angle_gamma [115.9682]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2PrCuCl6]
_chemical_formula_sum '[Rb2 Pr1 Cu1 Cl6]'
_cell_volume [317.8785]
_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  0.4584  0.2597  0.6764  1.0
  Rb  Rb1  1  0.5305  0.7304  0.2946  1.0
  Pr  Pr2  1  0.9967  0.0069  0.9954  1.0
  Cu  Cu3  1  0.0868  0.4925  0.6286  1.0
  Cl  Cl4  1  0.0731  0.3236  0.3271  1.0
  Cl  Cl5  1  0.0795  0.8154  0.2409  1.0
  Cl  Cl6  1  0.4605  0.2575  0.0988  1.0
  Cl  Cl7  1  0.5003  0.7431  0.8550  1.0
  Cl  Cl8  1  0.9059  0.6773  0.6631  1.0
  Cl  Cl9  1  0.9132  0.1996  0.7241  1.0
]