data_NbOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   131.97
_cell_angle_beta   131.97
_cell_angle_gamma   70.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOs2Pd
_chemical_formula_sum   'Nb1 Os2 Pd1'
_cell_volume   60.99
_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  0.0  1.0
  Os  Os1  1  0.97  0.0  0.97  1.0
  Os  Os2  1  0.0  0.0  0.95  1.0
  Pd  Pd3  1  0.0  0.97  0.97  1.0

data_NbOs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   4.83
_cell_angle_alpha   114.02
_cell_angle_beta   114.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOs2Pd
_chemical_formula_sum   'Nb1 Os2 Pd1'
_cell_volume   60.99
_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  0.0  1.0
  Os  Os1  1  0.03  0.0  0.99  1.0
  Os  Os2  1  0.05  0.0  0.05  1.0
  Pd  Pd3  1  0.99  0.97  0.99  1.0

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