data_LiCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.13
_cell_angle_alpha   101.56
_cell_angle_beta   101.56
_cell_angle_gamma   38.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuGe2
_chemical_formula_sum   'Li1 Cu1 Ge2'
_cell_volume   61.39
_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  Li3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.65  0.0  0.51  1.0
  Ge  Ge1  1  0.08  0.0  0.3  1.0
  Ge  Ge2  1  0.21  0.0  0.71  1.0

data_LiCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.44
_cell_length_c   5.13
_cell_angle_alpha   101.56
_cell_angle_beta   90.0
_cell_angle_gamma   109.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuGe2
_chemical_formula_sum   'Li1 Cu1 Ge2'
_cell_volume   61.39
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.35  0.49  1.0
  Ge  Ge2  1  0.0  0.79  0.29  1.0
  Ge  Ge3  1  0.0  0.92  0.7  1.0

Li Cu Ge Ge