data_LiGeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.13
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   108.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGeTe2
_chemical_formula_sum   'Li1 Ge1 Te2'
_cell_volume   101.42
_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  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.02  0.0  0.01  1.0
  Te  Te2  1  0.61  0.06  0.48  1.0
  Te  Te3  1  0.44  0.06  0.54  1.0

data_LiGeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.13
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   108.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGeTe2
_chemical_formula_sum   'Li1 Ge1 Te2'
_cell_volume   101.42
_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
  Ge  Ge1  1  0.02  0.0  0.01  1.0
  Te  Te2  1  0.44  0.06  0.54  1.0
  Te  Te3  1  0.61  0.06  0.48  1.0

Li Ge Te Te