data_ScVOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.34
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVOs2
_chemical_formula_sum   'Sc1 V1 Os2'
_cell_volume   60.33
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.55  0.0  0.24  1.0
  Os  Os0  1  0.55  0.17  0.0  1.0
  Os  Os1  1  0.0  0.17  0.24  1.0

data_ScVOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.34
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVOs2
_chemical_formula_sum   'Sc1 V1 Os2'
_cell_volume   60.33
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.55  0.0  0.24  1.0
  Os  Os2  1  0.0  0.17  0.24  1.0
  Os  Os3  1  0.55  0.17  -0.0  1.0

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