data_Li2NbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.62
_cell_angle_alpha   93.69
_cell_angle_beta   93.69
_cell_angle_gamma   30.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbMo
_chemical_formula_sum   'Li2 Nb1 Mo1'
_cell_volume   66.26
_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  0.93  0.0  0.57  1.0
  Li  Li1  1  0.08  0.0  0.22  1.0
  Nb  Nb3  1  0.91  0.0  0.5  1.0
  Mo  Mo2  1  0.48  0.0  0.74  1.0

data_Li2NbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   4.84
_cell_length_c   5.62
_cell_angle_alpha   93.69
_cell_angle_beta   90.0
_cell_angle_gamma   105.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbMo
_chemical_formula_sum   'Li2 Nb1 Mo1'
_cell_volume   66.26
_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  0.07  0.43  1.0
  Li  Li1  1  0.0  0.92  0.78  1.0
  Nb  Nb2  1  0.0  0.09  0.5  1.0
  Mo  Mo3  1  0.0  0.52  0.26  1.0

Li Li Nb Mo