data_VOs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   8.47
_cell_length_c   8.47
_cell_angle_alpha   19.54
_cell_angle_beta   19.54
_cell_angle_gamma   19.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VOs2Se
_chemical_formula_sum   'V1 Os2 Se1'
_cell_volume   59.41
_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
  Os  Os0  1  0.0  0.0  0.32  1.0
  Os  Os1  1  0.0  0.0  0.6  1.0
  Se  Se2  1  0.0  0.0  0.46  1.0

data_VOs2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   2.87
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VOs2Se
_chemical_formula_sum   'V2 Os4 Se2'
_cell_volume   118.83
_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
  Os  Os1  2  -0.0  0.0  0.4  1.0
  Os  Os2  2  -0.0  0.0  0.68  1.0
  Se  Se3  2  0.0  0.0  0.54  1.0

V Os Os Se
V Os Os Se 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 1 3 o o o 2 3 o o o 