data_[V3Se4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3635]
_cell_length_b [3.3635]
_cell_length_c [21.4820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [V3(Se2Br)2]
_chemical_formula_sum '[V3 Se4 Br2]'
_cell_volume [210.4671]
_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  2  0.0000  0.0000  0.3252  1
  V  V1  1  0.6667  0.3333  0.0000  1
  Se  Se2  2  0.6667  0.3333  0.3993  1
  Se  Se3  2  0.6667  0.3333  0.7491  1
  Br  Br4  2  0.0000  0.0000  0.0782  1
]