data_NbFeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   149.01
_cell_angle_beta   130.61
_cell_angle_gamma   59.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeOs2
_chemical_formula_sum   'Nb1 Fe1 Os2'
_cell_volume   58.24
_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  Nb1  1  0.0  0.0  0.62  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.22  0.57  1.0
  Os  Os3  1  0.42  0.0  0.05  1.0

data_NbFeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.44
_cell_length_c   5.32
_cell_angle_alpha   114.69
_cell_angle_beta   105.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeOs2
_chemical_formula_sum   'Nb1 Fe1 Os2'
_cell_volume   58.24
_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  0.62  0.62  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.05  0.63  1.0
  Os  Os3  1  0.78  0.35  0.35  1.0

Nb Fe Os Os