data_Sc2OsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2OsPb
_chemical_formula_sum   'Sc2 Os1 Pb1'
_cell_volume   86.32
_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  0.83  1.0
  Sc  Sc3  1  0.65  0.65  0.44  1.0
  Os  Os0  1  0.0  0.0  0.9  1.0
  Pb  Pb1  1  0.65  0.65  0.66  1.0

data_Sc2OsPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2OsPb
_chemical_formula_sum   'Sc4 Os2 Pb2'
_cell_volume   172.65
_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  0.83  1.0
  Sc  Sc1  2  0.15  0.5  0.44  1.0
  Os  Os2  2  0.0  0.0  0.9  1.0
  Pb  Pb3  2  0.15  0.5  0.66  1.0

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