data_Sc2CoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.28
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CoOs
_chemical_formula_sum   'Sc2 Co1 Os1'
_cell_volume   66.28
_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  0.1  1.0
  Sc  Sc3  1  0.45  0.14  0.58  1.0
  Co  Co0  1  0.0  0.0  0.53  1.0
  Os  Os1  1  0.45  0.14  0.17  1.0

data_Sc2CoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.28
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CoOs
_chemical_formula_sum   'Sc2 Co1 Os1'
_cell_volume   66.28
_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  0.1  1.0
  Sc  Sc1  1  0.45  0.14  0.58  1.0
  Co  Co2  1  0.0  0.0  0.53  1.0
  Os  Os3  1  0.45  0.14  0.17  1.0

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