data_LiCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.39
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoGe2
_chemical_formula_sum   'Li1 Co1 Ge2'
_cell_volume   56.86
_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  0.74  0.0  0.2  1.0
  Co  Co0  1  0.72  0.2  0.63  1.0
  Ge  Ge1  1  0.86  0.0  0.33  1.0
  Ge  Ge2  1  0.25  0.2  0.21  1.0

data_LiCoGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.39
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoGe2
_chemical_formula_sum   'Li1 Co1 Ge2'
_cell_volume   56.86
_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  0.74  0.0  0.2  1.0
  Co  Co1  1  0.72  0.2  0.63  1.0
  Ge  Ge2  1  0.25  0.2  0.21  1.0
  Ge  Ge3  1  0.86  0.0  0.33  1.0

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