data_Sc2OsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.96
_cell_angle_alpha   102.07
_cell_angle_beta   102.07
_cell_angle_gamma   42.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2OsPb
_chemical_formula_sum   'Sc2 Os1 Pb1'
_cell_volume   85.2
_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  0.1  0.0  0.25  1.0
  Sc  Sc3  1  0.28  0.0  0.56  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.69  0.0  0.9  1.0

data_Sc2OsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.67
_cell_length_c   5.96
_cell_angle_alpha   102.07
_cell_angle_beta   90.0
_cell_angle_gamma   111.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2OsPb
_chemical_formula_sum   'Sc2 Os1 Pb1'
_cell_volume   85.2
_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  0.72  0.44  1.0
  Sc  Sc1  1  0.0  0.9  0.75  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.31  0.1  1.0

Sc Sc Os Pb