data_InAsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   147.63
_cell_angle_beta   142.67
_cell_angle_gamma   50.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsRh2
_chemical_formula_sum   'In1 As1 Rh2'
_cell_volume   68.75
_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  0.0  0.91  0.29  1.0
  As  As0  1  0.0  0.0  0.04  1.0
  Rh  Rh2  1  0.0  0.0  0.21  1.0
  Rh  Rh3  1  0.66  0.0  0.27  1.0

data_InAsRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.82
_cell_length_c   5.97
_cell_angle_alpha   108.66
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsRh2
_chemical_formula_sum   'In1 As1 Rh2'
_cell_volume   68.75
_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  0.09  0.38  0.38  1.0
  As  As1  1  0.0  0.04  0.04  1.0
  Rh  Rh2  1  0.0  0.21  0.21  1.0
  Rh  Rh3  1  0.0  0.27  0.61  1.0

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