data_Li2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeMo
_chemical_formula_sum   'Li2 Ge1 Mo1'
_cell_volume   61.99
_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  0.28  0.29  0.32  1.0
  Li  Li2  1  0.28  0.71  0.32  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.56  0.0  0.0  1.0

data_Li2GeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   5.11
_cell_length_c   5.25
_cell_angle_alpha   119.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeMo
_chemical_formula_sum   'Li2 Ge1 Mo1'
_cell_volume   61.99
_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  0.32  0.29  0.57  1.0
  Li  Li1  1  0.32  0.71  0.99  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.56  1.0

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