data_InGaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.96
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaRh2
_chemical_formula_sum   'In1 Ga1 Rh2'
_cell_volume   65.78
_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  0.5  0.98  0.35  1.0
  Ga  Ga0  1  0.0  0.0  0.44  1.0
  Rh  Rh2  1  0.0  0.0  0.4  1.0
  Rh  Rh3  1  0.5  0.98  0.63  1.0

data_InGaRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.96
_cell_length_b   3.0
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InGaRh2
_chemical_formula_sum   'In1 Ga1 Rh2'
_cell_volume   65.78
_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  0.98  0.0  0.35  1.0
  Ga  Ga1  1  0.0  0.5  0.44  1.0
  Rh  Rh2  1  0.0  0.5  0.4  1.0
  Rh  Rh3  1  0.98  0.0  0.63  1.0

In Ga Rh Rh
In Ga Rh Rh 0 2 o + o 0 2 + + o 0 1 o + o 0 1 + + o 0 3 o o o 1 2 o o o 1 3 o - o 1 3 - - o 2 3 o - o 2 3 - - o 