data_[Rb4Cu4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [7.1549]
_cell_length_b [11.8682]
_cell_length_c [6.5913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [RbCuCl3]
_chemical_formula_sum '[Rb4 Cu4 Cl12]'
_cell_volume [559.7016]
_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  0.3420  0.2500  1.0
  Cu  Cu1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.2406  0.0889  0.3370  1.0
  Cl  Cl3  4  0.0000  0.1405  0.7500  1.0
]