data_[Zn4Ag4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1049]
_cell_length_b [3.9952]
_cell_length_c [11.1609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnAgBr3]
_chemical_formula_sum '[Zn4 Ag4 Br12]'
_cell_volume [627.7220]
_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
[
  Zn  Zn0  4  0.0841  0.0000  0.2824  1
  Ag  Ag1  4  0.1488  0.5000  0.8919  1
  Br  Br2  4  0.0883  0.0000  0.7342  1
  Br  Br3  4  0.1427  0.5000  0.3933  1
  Br  Br4  4  0.1507  0.0000  0.0830  1
]