data_[Zn3In6Sn3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7761]
_cell_length_b [7.7761]
_cell_length_c [23.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [ZnIn2SnBr6]
_chemical_formula_sum '[Zn3 In6 Sn3 Br18]'
_cell_volume [1226.0235]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7411  1.0
  In  In1  3  0.0000  0.0000  0.4915  1.0
  In  In2  3  0.0000  0.0000  0.9737  1.0
  Sn  Sn3  3  0.0000  0.0000  0.1797  1.0
  Br  Br4  9  0.0148  0.3818  0.4084  1.0
  Br  Br5  9  0.0162  0.6380  0.9085  1.0
]