data_InSnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   3.12
_cell_angle_alpha   100.13
_cell_angle_beta   100.13
_cell_angle_gamma   116.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnGe2
_chemical_formula_sum   'In1 Sn1 Ge2'
_cell_volume   92.92
_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
  In  In2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.12  0.0  0.0  1.0
  Ge  Ge0  1  0.04  0.47  0.47  1.0
  Ge  Ge1  1  0.04  0.53  0.47  1.0

data_InSnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   116.55
_cell_angle_beta   100.13
_cell_angle_gamma   100.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnGe2
_chemical_formula_sum   'In1 Sn1 Ge2'
_cell_volume   92.92
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.12  0.0  1.0
  Ge  Ge2  1  0.47  0.04  0.47  1.0
  Ge  Ge3  1  0.47  0.04  0.53  1.0

In Sn Ge Ge