data_SrV2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.38
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrV2Br
_chemical_formula_sum   'Sr1 V2 Br1'
_cell_volume   89.11
_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  Sr1  1  0.97  0.69  0.85  1.0
  V  V2  1  0.56  0.0  0.09  1.0
  V  V3  1  0.28  0.69  0.17  1.0
  Br  Br0  1  0.29  0.0  0.95  1.0

data_SrV2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.46
_cell_length_c   7.8
_cell_angle_alpha   102.1
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrV2Br
_chemical_formula_sum   'Sr1 V2 Br1'
_cell_volume   89.11
_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  Sr0  1  0.31  0.03  0.15  1.0
  V  V1  1  0.0  0.44  0.91  1.0
  V  V2  1  0.31  0.72  0.83  1.0
  Br  Br3  1  0.0  0.71  0.05  1.0

Sr V V Br