data_Nb2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.34
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2NiOs
_chemical_formula_sum   'Nb2 Ni1 Os1'
_cell_volume   63.07
_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  0.08  0.0  0.42  1.0
  Nb  Nb1  1  0.0  0.17  0.62  1.0
  Ni  Ni2  1  0.5  0.0  0.17  1.0
  Os  Os3  1  0.55  0.17  0.88  1.0

data_Nb2NiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.34
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2NiOs
_chemical_formula_sum   'Nb2 Ni1 Os1'
_cell_volume   63.07
_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  0.17  0.62  1.0
  Nb  Nb1  1  0.08  0.0  0.42  1.0
  Ni  Ni2  1  0.5  0.0  0.17  1.0
  Os  Os3  1  0.55  0.17  0.88  1.0

Nb Nb Ni Os