data_Li2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.09
_cell_angle_alpha   109.68
_cell_angle_beta   109.68
_cell_angle_gamma   31.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeMo
_chemical_formula_sum   'Li2 Ge1 Mo1'
_cell_volume   61.46
_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  Li1  1  0.54  0.0  0.42  1.0
  Li  Li2  1  0.02  0.0  0.92  1.0
  Ge  Ge0  1  0.46  0.0  0.64  1.0
  Mo  Mo3  1  0.93  0.0  0.93  1.0

data_Li2GeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.98
_cell_length_c   5.09
_cell_angle_alpha   109.68
_cell_angle_beta   90.0
_cell_angle_gamma   105.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeMo
_chemical_formula_sum   'Li2 Ge1 Mo1'
_cell_volume   61.46
_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  0.46  0.58  1.0
  Li  Li1  1  0.0  0.98  0.08  1.0
  Ge  Ge2  1  0.0  0.54  0.36  1.0
  Mo  Mo3  1  0.0  0.07  0.07  1.0

Li Li Ge Mo
Li Li Ge Mo 0 2 o o o 1 3 - o o 