data_[Ga8Te8Br28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.3970]
_cell_length_b [11.4359]
_cell_length_c [14.3066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ga2Te2Br7]
_chemical_formula_sum '[Ga8 Te8 Br28]'
_cell_volume [1680.8481]
_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
[
  Ga  Ga0  4  0.0938  0.6841  0.6790  1
  Ga  Ga1  4  0.2846  0.1077  0.8368  1
  Te  Te2  4  0.3501  0.5594  0.0495  1
  Te  Te3  4  0.4177  0.5363  0.8726  1
  Br  Br4  4  0.0126  0.6408  0.1127  1
  Br  Br5  4  0.0700  0.0287  0.8684  1
  Br  Br6  4  0.1325  0.6778  0.8469  1
  Br  Br7  4  0.2539  0.2432  0.7154  1
  Br  Br8  4  0.2782  0.6205  0.6189  1
  Br  Br9  4  0.3827  0.5649  0.2846  1
  Br  Br10  4  0.3887  0.1714  0.9820  1
]