data_[Rb3Pr1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.9947]
_cell_length_b [8.1049]
_cell_length_c [8.1398]
_cell_angle_alpha [61.6319]
_cell_angle_beta [60.8291]
_cell_angle_gamma [61.2540]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3PrCl6]
_chemical_formula_sum '[Rb3 Pr1 Cl6]'
_cell_volume [383.3012]
_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  2  0.2742  0.2322  0.2155  1.0
  Rb  Rb1  1  0.5000  0.5000  0.5000  1.0
  Pr  Pr2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1557  0.6799  0.8665  1.0
  Cl  Cl4  2  0.2575  0.1838  0.6520  1.0
  Cl  Cl5  2  0.2965  0.8310  0.1696  1.0
]