data_SrVBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85
_cell_length_b   9.85
_cell_length_c   9.85
_cell_angle_alpha   23.4
_cell_angle_beta   23.4
_cell_angle_gamma   23.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrVBr2
_chemical_formula_sum   'Sr1 V1 Br2'
_cell_volume   132.54
_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
  Sr  Sr2  1  0.0  0.0  0.26  1.0
  V  V3  1  0.0  0.0  0.65  1.0
  Br  Br0  1  0.0  0.0  0.05  1.0
  Br  Br1  1  0.0  0.0  0.9  1.0

data_SrVBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   4.0
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   103.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrVBr2
_chemical_formula_sum   'Sr2 V2 Br4'
_cell_volume   265.09
_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
  Sr  Sr0  2  0.0  0.0  0.74  1.0
  V  V1  2  0.0  0.0  0.35  1.0
  Br  Br2  2  0.0  0.0  0.1  1.0
  Br  Br3  2  0.0  0.0  0.95  1.0

Sr V Br Br
Sr V Br Br 0 2 o o o 1 3 o o o 2 3 o o - 