data_[Cu2Si4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9659]
_cell_length_b [9.6817]
_cell_length_c [6.8920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(SiBr4)2]
_chemical_formula_sum '[Cu2 Si4 Br16]'
_cell_volume [864.9174]
_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
[
  Si  Si0  4  0.1915  0.0000  0.6920  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1027  0.1872  0.8238  1
  Br  Br3  4  0.1415  0.5000  0.2065  1
  Br  Br4  4  0.1767  0.0000  0.3630  1
]