data_[Rb2Cu2Se2Br12]
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
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7866]
_cell_length_b [13.0572]
_cell_length_c [7.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbCuSeBr6]
_chemical_formula_sum '[Rb2 Cu2 Se2 Br12]'
_cell_volume [652.3104]
_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  2  0.0000  0.9705  0.5000  1.0
  Cu  Cu1  2  0.0000  0.3778  0.0000  1.0
  Se  Se2  2  0.0000  0.6683  0.0000  1.0
  Br  Br3  4  0.1633  0.5106  0.8302  1.0
  Br  Br4  4  0.2233  0.7946  0.8265  1.0
  Br  Br5  4  0.2328  0.1834  0.7227  1.0
]