data_VSi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   137.47
_cell_angle_beta   137.47
_cell_angle_gamma   61.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSi2Br
_chemical_formula_sum   'V1 Si2 Br1'
_cell_volume   67.53
_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  V3  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.92  0.28  1.0
  Si  Si2  1  0.92  0.0  0.28  1.0
  Br  Br0  1  0.0  0.0  0.56  1.0

data_VSi2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   120.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VSi2Br
_chemical_formula_sum   'V2 Si4 Br2'
_cell_volume   135.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Si  Si1  4  0.04  0.04  0.35  1.0
  Br  Br2  2  0.0  0.0  0.56  1.0

V Si Si Br
V Si Si Br 0 2 - o o 0 1 o - o 1 2 - + o 1 3 o + o 2 3 + o o 