data_Nb2OsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.11
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2OsPb
_chemical_formula_sum   'Nb2 Os1 Pb1'
_cell_volume   73.86
_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
  Nb  Nb0  1  0.51  0.05  0.64  1.0
  Nb  Nb1  1  0.51  0.05  0.3  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.97  1.0

data_Nb2OsPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.11
_cell_length_b   3.02
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb2OsPb
_chemical_formula_sum   'Nb2 Os1 Pb1'
_cell_volume   73.86
_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
  Nb  Nb0  1  0.05  0.5  0.3  1.0
  Nb  Nb1  1  0.05  0.5  0.64  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.97  1.0

Nb Nb Os Pb
Nb Nb Os Pb 0 2 o o + 0 2 + o + 0 3 o o o 0 3 + o o 0 1 o o o 1 2 o o o 1 2 + o o 1 3 o o - 1 3 + o - 2 3 o o - 