data_In2GeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   43.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeRh
_chemical_formula_sum   'In2 Ge1 Rh1'
_cell_volume   80.83
_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  0.99  0.0  0.84  1.0
  In  In2  1  0.0  0.0  0.76  1.0
  Ge  Ge0  1  0.0  0.0  0.55  1.0
  Rh  Rh3  1  0.99  0.0  0.04  1.0

data_In2GeRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.03
_cell_length_b   3.98
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   111.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   In2GeRh
_chemical_formula_sum   'In2 Ge1 Rh1'
_cell_volume   80.83
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.76  0.0  0.76  1.0
  In  In1  1  0.84  0.0  0.84  1.0
  Ge  Ge2  1  0.55  0.0  0.55  1.0
  Rh  Rh3  1  0.04  0.0  0.04  1.0

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