data_[V1Br3F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.4895]
_cell_length_b [19.7351]
_cell_length_c [6.4935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [VBr3F]
_chemical_formula_sum '[V1 Br3 F1]'
_cell_volume [445.6168]
_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  0.9449  0.5000  0.4514  1
  Br  Br1  2  0.9399  0.3800  0.4116  1
  Br  Br2  1  0.4901  0.5000  0.7375  1
  F  F3  1  0.4190  0.5000  0.2810  1
]