data_ScOs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOs5
_chemical_formula_sum   'Sc1 Os5'
_cell_volume   90.83
_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  Sc5  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.13  0.0  0.22  1.0
  Os  Os1  1  0.86  0.5  0.22  1.0
  Os  Os2  1  0.43  0.71  0.22  1.0
  Os  Os3  1  0.43  0.4  0.0  1.0
  Os  Os4  1  0.0  0.81  0.0  1.0

data_ScOs5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOs5
_chemical_formula_sum   'Sc1 Os5'
_cell_volume   90.83
_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
  Os  Os1  1  0.0  0.0  0.81  1.0
  Os  Os2  1  0.0  0.43  0.4  1.0
  Os  Os3  1  0.22  0.13  0.0  1.0
  Os  Os4  1  0.22  0.43  0.71  1.0
  Os  Os5  1  0.22  0.86  0.5  1.0

Sc Os Os Os Os Os