data_[Rb6Pr2Cl12]
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 [P2_1/c]
_cell_length_a [7.9205]
_cell_length_b [8.3655]
_cell_length_c [13.6325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3PrCl6]
_chemical_formula_sum '[Rb6 Pr2 Cl12]'
_cell_volume [747.0240]
_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  0.2855  0.0691  0.7584  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0968  0.0599  0.2268  1.0
  Cl  Cl4  4  0.2479  0.7285  0.0785  1.0
  Cl  Cl5  4  0.3364  0.1806  0.0561  1.0
]