data_LaSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.22
_cell_angle_alpha   106.68
_cell_angle_beta   106.68
_cell_angle_gamma   43.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSiGe2
_chemical_formula_sum   'La1 Si1 Ge2'
_cell_volume   88.69
_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  0.0  0.5  1.0
  Si  Si3  1  0.17  0.0  0.23  1.0
  Ge  Ge0  1  0.74  0.0  0.91  1.0
  Ge  Ge1  1  0.67  0.0  0.77  1.0

data_LaSiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.08
_cell_length_c   5.22
_cell_angle_alpha   106.68
_cell_angle_beta   90.0
_cell_angle_gamma   111.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSiGe2
_chemical_formula_sum   'La1 Si1 Ge2'
_cell_volume   88.69
_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  0.0  0.06  0.5  1.0
  Si  Si1  1  0.0  0.83  0.77  1.0
  Ge  Ge2  1  0.0  0.26  0.09  1.0
  Ge  Ge3  1  0.0  0.33  0.23  1.0

La Si Ge Ge
La Si Ge Ge 0 3 o o o 0 1 + o o 1 2 - o - 2 3 o o o 