data_LaGe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.3
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   108.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGe2Te
_chemical_formula_sum   'La1 Ge2 Te1'
_cell_volume   109.77
_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
  La  La2  1  0.94  0.15  0.06  1.0
  Ge  Ge0  1  0.38  0.15  0.31  1.0
  Ge  Ge1  1  0.27  0.0  0.46  1.0
  Te  Te3  1  0.8  0.0  0.24  1.0

data_LaGe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.3
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   108.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGe2Te
_chemical_formula_sum   'La1 Ge2 Te1'
_cell_volume   109.77
_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
  La  La0  1  0.94  0.15  0.06  1.0
  Ge  Ge1  1  0.27  0.0  0.46  1.0
  Ge  Ge2  1  0.38  0.15  0.31  1.0
  Te  Te3  1  0.8  0.0  0.24  1.0

La Ge Ge Te
La Ge Ge Te 0 3 o o o 1 2 o o o 