data_In2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.77
_cell_angle_alpha   101.82
_cell_angle_beta   101.82
_cell_angle_gamma   34.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GePb
_chemical_formula_sum   'In2 Ge1 Pb1'
_cell_volume   106.97
_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  In1  1  0.67  0.0  0.59  1.0
  In  In2  1  0.94  0.0  0.32  1.0
  Ge  Ge0  1  0.81  0.0  0.31  1.0
  Pb  Pb3  1  0.98  0.0  0.86  1.0

data_In2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.76
_cell_length_c   5.77
_cell_angle_alpha   101.82
_cell_angle_beta   90.0
_cell_angle_gamma   107.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GePb
_chemical_formula_sum   'In2 Ge1 Pb1'
_cell_volume   106.97
_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  0.06  0.68  1.0
  In  In1  1  0.0  0.33  0.41  1.0
  Ge  Ge2  1  0.0  0.19  0.69  1.0
  Pb  Pb3  1  0.0  0.02  0.14  1.0

In In Ge Pb