data_[Rb4Cu6Br16]
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/m]
_cell_length_a [14.7252]
_cell_length_b [8.5218]
_cell_length_c [7.3944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Cu3Br8]
_chemical_formula_sum '[Rb4 Cu6 Br16]'
_cell_volume [887.4960]
_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  0.2174  0.5000  0.6113  1.0
  Cu  Cu1  4  0.0000  0.3147  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.0654  0.2200  0.3117  1.0
  Br  Br4  4  0.1276  0.5000  0.9931  1.0
  Br  Br5  4  0.1536  0.0000  0.7237  1.0
]