data_NbOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOs2Pd
_chemical_formula_sum   'Nb1 Os2 Pd1'
_cell_volume   61.94
_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  0.0  0.0  0.05  1.0
  Os  Os1  1  0.39  0.39  0.15  1.0
  Os  Os2  1  0.0  0.0  0.89  1.0
  Pd  Pd3  1  0.39  0.39  0.99  1.0

data_NbOs2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbOs2Pd
_chemical_formula_sum   'Nb2 Os4 Pd2'
_cell_volume   123.87
_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
  Nb  Nb0  2  0.0  0.0  0.05  1.0
  Os  Os1  2  0.0  0.0  0.89  1.0
  Os  Os2  2  0.39  0.0  0.15  1.0
  Pd  Pd3  2  0.39  0.0  0.99  1.0

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