data_NaV2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   4.57
_cell_angle_alpha   109.73
_cell_angle_beta   109.73
_cell_angle_gamma   27.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Br
_chemical_formula_sum   'Na1 V2 Br1'
_cell_volume   79.1
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.97  0.0  0.51  1.0
  V  V3  1  0.62  0.0  0.78  1.0
  Br  Br0  1  0.3  0.0  0.14  1.0

data_NaV2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.57
_cell_length_c   6.28
_cell_angle_alpha   109.73
_cell_angle_beta   103.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Br
_chemical_formula_sum   'Na1 V2 Br1'
_cell_volume   79.1
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.51  0.97  1.0
  V  V2  1  0.0  0.78  0.62  1.0
  Br  Br3  1  0.0  0.14  0.3  1.0

Na V V Br