data_[Rb6Te2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2386]
_cell_length_b [8.3283]
_cell_length_c [14.2625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3TeBr6]
_chemical_formula_sum '[Rb6 Te2 Br12]'
_cell_volume [868.7183]
_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  4  0.2201  0.0801  0.7319  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Te  Te2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.1030  0.2204  0.4394  1.0
  Br  Br4  4  0.1893  0.6773  0.4200  1.0
  Br  Br5  4  0.3590  0.0315  0.2391  1.0
]