data_[Rb10Cu2Br16]
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 [I-4]
_cell_length_a [10.0604]
_cell_length_b [10.0604]
_cell_length_c [11.4272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Rb5CuBr8]
_chemical_formula_sum '[Rb10 Cu2 Br16]'
_cell_volume [1156.5638]
_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  8  0.1388  0.2810  0.8892  1.0
  Rb  Rb1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.2500  1.0
  Br  Br3  8  0.0520  0.2738  0.2147  1.0
  Br  Br4  8  0.1124  0.3072  0.5889  1.0
]