data_In2GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   131.95
_cell_angle_beta   131.95
_cell_angle_gamma   70.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaGe
_chemical_formula_sum   'In2 Ga1 Ge1'
_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  0.54  1.0
  In  In3  1  0.0  0.26  0.27  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.26  0.0  0.27  1.0

data_In2GaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.55
_cell_angle_alpha   114.03
_cell_angle_beta   114.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaGe
_chemical_formula_sum   'In2 Ga1 Ge1'
_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  0.46  0.0  0.46  1.0
  In  In1  1  0.99  0.26  0.99  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.73  0.0  0.99  1.0

In In Ga Ge
In In Ga Ge 0 1 o o o 0 3 o o o 0 2 o o o 0 2 o o + 1 2 o o o 2 3 o o o 