data_Sr2TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiV
_chemical_formula_sum   'Sr2 Ti1 V1'
_cell_volume   115.71
_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  0.0  0.0  0.51  1.0
  Sr  Sr1  1  0.78  0.78  0.87  1.0
  Ti  Ti2  1  0.0  0.0  0.28  1.0
  V  V3  1  0.78  0.78  0.18  1.0

data_Sr2TiV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2TiV
_chemical_formula_sum   'Sr4 Ti2 V2'
_cell_volume   231.41
_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  0.51  1.0
  Sr  Sr1  2  0.28  0.5  0.87  1.0
  Ti  Ti2  2  0.0  0.0  0.28  1.0
  V  V3  2  0.28  0.5  0.18  1.0

Sr Sr Ti V
Sr Sr Ti V 0 2 o o o 0 1 - - o 1 1 + o o 1 1 o + o 1 3 o o + 2 3 - - o 