data_Sc2VOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.24
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2VOs
_chemical_formula_sum   'Sc2 V1 Os1'
_cell_volume   70.25
_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  Sc1  1  0.0  0.0  0.38  1.0
  Sc  Sc2  1  0.5  0.12  0.47  1.0
  V  V3  1  0.0  0.0  0.92  1.0
  Os  Os0  1  0.5  0.12  0.03  1.0

data_Sc2VOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.24
_cell_length_b   3.01
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2VOs
_chemical_formula_sum   'Sc2 V1 Os1'
_cell_volume   70.25
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.38  1.0
  Sc  Sc1  1  0.12  0.5  0.47  1.0
  V  V2  1  0.0  0.0  0.92  1.0
  Os  Os3  1  0.12  0.5  0.03  1.0

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