data_NbOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   2.72
_cell_angle_alpha   103.31
_cell_angle_beta   103.31
_cell_angle_gamma   119.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOs2Pd
_chemical_formula_sum   'Nb1 Os2 Pd1'
_cell_volume   62.0
_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  0.75  0.33  0.21  1.0
  Os  Os2  1  0.75  0.67  0.21  1.0
  Pd  Pd3  1  0.74  0.0  0.0  1.0

data_NbOs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.89
_cell_length_c   5.41
_cell_angle_alpha   116.14
_cell_angle_beta   103.31
_cell_angle_gamma   92.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOs2Pd
_chemical_formula_sum   'Nb1 Os2 Pd1'
_cell_volume   62.0
_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
  Pd  Pd1  1  0.0  0.0  0.74  1.0
  Os  Os2  1  0.54  0.33  0.09  1.0
  Os  Os3  1  0.88  0.67  0.42  1.0

Nb Os Os Pd