data_ScOs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.58
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOs2Cl
_chemical_formula_sum   'Sc1 Os2 Cl1'
_cell_volume   67.7
_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  0.5  1.0
  Os  Os1  1  0.48  0.29  0.29  1.0
  Os  Os2  1  0.48  0.29  0.71  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScOs2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.95
_cell_length_b   5.0
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScOs2Cl
_chemical_formula_sum   'Sc1 Os2 Cl1'
_cell_volume   67.7
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.48  0.21  0.29  1.0
  Cl  Cl2  1  0.0  0.5  0.0  1.0

Sc Os Os Cl