data_[V3Te1Br7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.4073]
_cell_length_b [7.4073]
_cell_length_c [7.0984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [V3TeBr7]
_chemical_formula_sum '[V3 Te1 Br7]'
_cell_volume [337.2893]
_cell_formula_units_Z [1]
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
[
  V  V0  3  0.1779  0.3558  0.4995  1.0
  Te  Te1  1  0.3333  0.6667  0.7567  1.0
  Br  Br2  3  0.0133  0.5066  0.2835  1.0
  Br  Br3  3  0.3282  0.1641  0.6880  1.0
  Br  Br4  1  0.0000  0.0000  0.3003  1.0
]