data_[Rb4Cr4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1280]
_cell_length_b [15.3059]
_cell_length_c [5.4693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbCrCl3]
_chemical_formula_sum '[Rb4 Cr4 Cl12]'
_cell_volume [680.4148]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  4  0.1753  0.2500  0.8755  1.0
  Cl  Cl2  8  0.1436  0.1032  0.9771  1.0
  Cl  Cl3  4  0.0327  0.7500  0.4392  1.0
]