data_LaSnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.16
_cell_angle_alpha   107.1
_cell_angle_beta   107.1
_cell_angle_gamma   42.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSnGe2
_chemical_formula_sum   'La1 Sn1 Ge2'
_cell_volume   99.66
_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  0.32  0.0  0.5  1.0
  Sn  Sn3  1  0.21  0.0  0.88  1.0
  Ge  Ge0  1  0.43  0.0  0.83  1.0
  Ge  Ge1  1  0.44  0.0  0.02  1.0

data_LaSnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   5.16
_cell_length_c   5.47
_cell_angle_alpha   107.1
_cell_angle_beta   111.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSnGe2
_chemical_formula_sum   'La1 Sn1 Ge2'
_cell_volume   99.66
_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  0.5  0.32  1.0
  Sn  Sn1  1  0.0  0.88  0.21  1.0
  Ge  Ge2  1  0.0  0.02  0.44  1.0
  Ge  Ge3  1  0.0  0.83  0.43  1.0

La Sn Ge Ge
La Sn Ge Ge 0 2 o o o 1 2 o o o 1 3 o o + 2 3 o o + 