data_[Rb2Tl4Cu2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7510]
_cell_length_b [7.4346]
_cell_length_c [9.4342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbTl2CuBr8]
_chemical_formula_sum '[Rb2 Tl4 Cu2 Br16]'
_cell_volume [937.1835]
_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  0.5000  0.5000  1.0
  Tl  Tl1  4  0.1905  0.5000  0.1545  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0860  0.2304  0.2098  1.0
  Br  Br4  4  0.1255  0.0000  0.6255  1.0
  Br  Br5  4  0.1968  0.5000  0.8820  1.0
]