data_[V6As2Se8Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [7.3603]
_cell_length_b [7.3603]
_cell_length_c [10.2904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [V3AsSe4Br]
_chemical_formula_sum '[V6 As2 Se8 Br2]'
_cell_volume [482.7925]
_cell_formula_units_Z [2]
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  6  0.0537  0.5268  0.7144  1
  As  As1  2  0.0000  0.0000  0.2404  1
  Se  Se2  6  0.1704  0.3408  0.8577  1
  Se  Se3  2  0.3333  0.6667  0.1912  1
  Br  Br4  2  0.3333  0.6667  0.5363  1
]