data_ScCoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   153.5
_cell_angle_beta   153.5
_cell_angle_gamma   37.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoOs
_chemical_formula_sum   'Sc1 Co1 Os1'
_cell_volume   44.79
_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  0.64  1.0
  Co  Co0  1  0.0  0.0  0.33  1.0
  Os  Os1  1  0.0  0.0  0.06  1.0

data_ScCoOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   108.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCoOs
_chemical_formula_sum   'Sc2 Co2 Os2'
_cell_volume   89.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.36  1.0
  Co  Co1  2  0.0  0.0  0.67  1.0
  Os  Os2  2  0.0  0.0  0.94  1.0

Sc Co Os