data_Nb2OsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   3.83
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2OsPd
_chemical_formula_sum   'Nb2 Os1 Pd1'
_cell_volume   65.41
_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  0.47  0.92  0.51  1.0
  Nb  Nb1  1  0.47  0.92  0.29  1.0
  Os  Os2  1  0.0  0.0  0.9  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Nb2OsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.83
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2OsPd
_chemical_formula_sum   'Nb2 Os1 Pd1'
_cell_volume   65.41
_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  0.47  0.92  0.29  1.0
  Nb  Nb1  1  0.47  0.92  0.51  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.9  1.0

Nb Nb Os Pd
Nb Nb Os Pd 0 1 o o o 2 3 o o + 