data_[Rb4Cu4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2487]
_cell_length_b [6.2575]
_cell_length_c [10.4408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCuBr4]
_chemical_formula_sum '[Rb4 Cu4 Br16]'
_cell_volume [844.4019]
_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  0.2341  0.2500  1.0
  Cu  Cu1  4  0.2500  0.2500  0.0000  1.0
  Br  Br2  8  0.0700  0.2640  0.9301  1.0
  Br  Br3  8  0.2332  0.0221  0.6502  1.0
]