data_[Cu4Ag4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5522]
_cell_length_b [13.1907]
_cell_length_c [9.6743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuAgSnBr5]
_chemical_formula_sum '[Cu4 Ag4 Sn4 Br20]'
_cell_volume [986.8177]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  4  0.0000  0.3483  0.2500  1.0
  Ag  Ag1  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0000  0.2989  0.7500  1.0
  Br  Br3  8  0.0981  0.2355  0.0995  1.0
  Br  Br4  8  0.1710  0.4715  0.4343  1.0
  Br  Br5  4  0.0000  0.0867  0.7500  1.0
]