data_V2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.53
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   100.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2OsCl
_chemical_formula_sum   'V2 Os1 Cl1'
_cell_volume   58.9
_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  V2  1  0.84  0.0  0.35  1.0
  V  V3  1  0.92  0.27  0.6  1.0
  Os  Os1  1  0.07  0.27  0.76  1.0
  Cl  Cl0  1  0.3  0.0  0.65  1.0

data_V2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.53
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   100.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2OsCl
_chemical_formula_sum   'V2 Os1 Cl1'
_cell_volume   58.9
_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  V0  1  0.84  0.0  0.35  1.0
  V  V1  1  0.92  0.27  0.6  1.0
  Os  Os2  1  0.07  0.27  0.76  1.0
  Cl  Cl3  1  0.3  0.0  0.65  1.0

V V Os Cl
V V Os Cl 0 3 + o o 0 1 o o o 1 2 + o o 1 3 + o o 2 3 o o o 