data_In2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeAs
_chemical_formula_sum   'In2 Ge1 As1'
_cell_volume   91.99
_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  0.69  0.94  0.75  1.0
  In  In3  1  0.69  0.06  0.75  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.38  0.0  0.0  1.0

data_In2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   97.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeAs
_chemical_formula_sum   'In2 Ge1 As1'
_cell_volume   91.99
_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  0.75  0.69  0.06  1.0
  In  In1  1  0.75  0.69  0.94  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.38  0.0  1.0

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