data_LiGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.75
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGe2Pt
_chemical_formula_sum   'Li1 Ge2 Pt1'
_cell_volume   63.33
_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  0.0  0.63  1.0
  Ge  Ge0  1  0.0  0.0  0.19  1.0
  Ge  Ge1  1  0.6  0.87  0.43  1.0
  Pt  Pt3  1  0.6  0.87  0.99  1.0

data_LiGe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.75
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGe2Pt
_chemical_formula_sum   'Li1 Ge2 Pt1'
_cell_volume   63.33
_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  0.63  1.0
  Ge  Ge1  1  0.0  0.0  0.19  1.0
  Ge  Ge2  1  0.6  0.87  0.43  1.0
  Pt  Pt3  1  0.6  0.87  0.99  1.0

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