data_Sc2SiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   37.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiOs
_chemical_formula_sum   'Sc2 Si1 Os1'
_cell_volume   72.53
_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  0.14  1.0
  Sc  Sc2  1  0.1  0.0  0.09  1.0
  Si  Si3  1  0.0  0.0  0.87  1.0
  Os  Os0  1  0.1  0.0  0.24  1.0

data_Sc2SiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.2
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   108.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiOs
_chemical_formula_sum   'Sc2 Si1 Os1'
_cell_volume   72.53
_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  0.86  0.0  0.86  1.0
  Sc  Sc1  1  0.91  0.1  0.91  1.0
  Si  Si2  1  0.13  0.0  0.13  1.0
  Os  Os3  1  0.76  0.1  0.76  1.0

Sc Sc Si Os
Sc Sc Si Os 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o - 