data_Li2NbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   4.67
_cell_angle_alpha   97.77
_cell_angle_beta   97.77
_cell_angle_gamma   30.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbOs
_chemical_formula_sum   'Li2 Nb1 Os1'
_cell_volume   62.08
_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
  Li  Li0  1  0.9  0.0  0.36  1.0
  Li  Li1  1  0.31  0.0  0.26  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.61  0.0  0.31  1.0

data_Li2NbOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.67
_cell_length_c   5.12
_cell_angle_alpha   97.77
_cell_angle_beta   105.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbOs
_chemical_formula_sum   'Li2 Nb1 Os1'
_cell_volume   62.08
_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
  Li  Li0  1  0.0  0.26  0.31  1.0
  Li  Li1  1  0.0  0.36  0.9  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.31  0.61  1.0

Li Li Nb Os