data_[Rb1In1Cu1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7671]
_cell_length_b [6.9056]
_cell_length_c [7.6372]
_cell_angle_alpha [92.4119]
_cell_angle_beta [95.9146]
_cell_angle_gamma [112.9328]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbInCuBr6]
_chemical_formula_sum '[Rb1 In1 Cu1 Br6]'
_cell_volume [325.6164]
_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  0.0473  0.9776  0.9981  1.0
  In  In1  1  0.6693  0.3173  0.4884  1.0
  Cu  Cu2  1  0.3056  0.6430  0.5265  1.0
  Br  Br3  1  0.0072  0.3617  0.7205  1.0
  Br  Br4  1  0.3593  0.4128  0.2957  1.0
  Br  Br5  1  0.3946  0.0004  0.6731  1.0
  Br  Br6  1  0.5986  0.6017  0.7200  1.0
  Br  Br7  1  0.6323  0.0375  0.2346  1.0
  Br  Br8  1  0.9856  0.6478  0.3432  1.0
]