data_[Rb1V1Cu2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5311]
_cell_length_b [7.2667]
_cell_length_c [8.7002]
_cell_angle_alpha [75.1104]
_cell_angle_beta [82.5950]
_cell_angle_gamma [89.8173]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbV(CuBr4)2]
_chemical_formula_sum '[Rb1 V1 Cu2 Br8]'
_cell_volume [395.5280]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.4680  0.0321  0.3163  1.0
  Br  Br3  2  0.0982  0.0041  0.2749  1.0
  Br  Br4  2  0.1729  0.3132  0.8833  1.0
  Br  Br5  2  0.3284  0.8313  0.9397  1.0
  Br  Br6  2  0.4958  0.2635  0.4787  1.0
]