data_Li2CuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   135.97
_cell_angle_beta   133.74
_cell_angle_gamma   65.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuGe
_chemical_formula_sum   'Li2 Cu1 Ge1'
_cell_volume   56.45
_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  Li2  1  0.0  0.91  0.03  1.0
  Li  Li3  1  0.82  0.0  0.04  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.07  1.0

data_Li2CuGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.81
_cell_length_c   4.85
_cell_angle_alpha   113.13
_cell_angle_beta   112.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuGe
_chemical_formula_sum   'Li2 Cu1 Ge1'
_cell_volume   56.45
_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  0.04  0.22  1.0
  Li  Li1  1  0.09  0.13  0.13  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.07  0.07  1.0

Li Li Cu Ge