data_[Rb1Cr1Br1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cr  1.6600  1.4000  0.9400
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3889]
_cell_length_b [5.6946]
_cell_length_c [6.4309]
_cell_angle_alpha [109.1736]
_cell_angle_beta [93.5156]
_cell_angle_gamma [95.8959]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbCrBrO6]
_chemical_formula_sum '[Rb1 Cr1 Br1 O6]'
_cell_volume [184.4636]
_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  0.9489  0.0035  0.9479  1.0
  Cr  Cr1  1  0.4968  0.2360  0.5169  1.0
  Br  Br2  1  0.5090  0.6614  0.2726  1.0
  O  O3  1  0.2946  0.2872  0.3369  1.0
  O  O4  1  0.2947  0.6727  0.0836  1.0
  O  O5  1  0.3536  0.1201  0.6842  1.0
  O  O6  1  0.6819  0.4957  0.6428  1.0
  O  O7  1  0.6827  0.0026  0.3660  1.0
  O  O8  1  0.7377  0.5208  0.1493  1.0
]