data_ScSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   135.78
_cell_angle_beta   135.78
_cell_angle_gamma   64.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSbOs2
_chemical_formula_sum   'Sc1 Sb1 Os2'
_cell_volume   67.61
_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  Sc3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.96  0.2  1.0
  Os  Os0  1  0.96  0.0  0.2  1.0
  Os  Os1  1  0.0  0.0  0.41  1.0

data_ScSbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.2
_cell_angle_alpha   112.11
_cell_angle_beta   112.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSbOs2
_chemical_formula_sum   'Sc1 Sb1 Os2'
_cell_volume   67.61
_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
  Sb  Sb1  1  0.24  0.2  0.24  1.0
  Os  Os2  1  0.2  0.24  0.24  1.0
  Os  Os3  1  0.41  0.41  0.41  1.0

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