data_In2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   139.62
_cell_angle_beta   128.03
_cell_angle_gamma   67.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeAs
_chemical_formula_sum   'In2 Ge1 As1'
_cell_volume   93.04
_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  0.5  0.26  1.0
  In  In3  1  0.97  0.0  0.47  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.73  1.0

data_In2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.0
_cell_length_c   5.7
_cell_angle_alpha   115.98
_cell_angle_beta   110.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeAs
_chemical_formula_sum   'In2 Ge1 As1'
_cell_volume   93.04
_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  0.47  0.51  1.0
  In  In1  1  0.5  0.76  0.76  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.73  0.73  1.0

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