data_[V1Te1Br2]
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 [Pm]
_cell_length_a [3.2459]
_cell_length_b [18.3843]
_cell_length_c [7.2206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [VTeBr2]
_chemical_formula_sum '[V1 Te1 Br2]'
_cell_volume [420.5115]
_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  1  0.9100  0.0000  0.0464  1
  Te  Te1  1  0.2066  0.0000  0.7411  1
  Br  Br2  2  0.4730  0.0920  0.1852  1
]