data_OsPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   117.05
_cell_angle_beta   117.05
_cell_angle_gamma   117.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPb3
_chemical_formula_sum   'Os1 Pb3'
_cell_volume   100.03
_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
  Os  Os0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.39  0.49  0.06  1.0
  Pb  Pb2  1  0.61  0.49  0.06  1.0
  Pb  Pb3  1  0.0  0.01  0.06  1.0

data_OsPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   117.05
_cell_angle_beta   99.99
_cell_angle_gamma   99.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPb3
_chemical_formula_sum   'Os1 Pb3'
_cell_volume   100.03
_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
  Os  Os0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.06  0.06  0.05  1.0
  Pb  Pb2  1  0.06  0.45  0.57  1.0
  Pb  Pb3  1  0.06  0.67  0.57  1.0

Os Pb Pb Pb
Os Pb Pb Pb 0 3 o o o 1 2 o o o 