data_InAs2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   112.36
_cell_angle_beta   112.36
_cell_angle_gamma   103.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAs2Rh
_chemical_formula_sum   'In1 As2 Rh1'
_cell_volume   74.62
_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  0.0  0.84  1.0
  As  As0  1  0.56  0.0  0.42  1.0
  As  As1  1  0.0  0.56  0.42  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_InAs2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   7.25
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   128.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InAs2Rh
_chemical_formula_sum   'In2 As4 Rh2'
_cell_volume   149.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.16  1.0
  As  As1  4  0.22  0.22  0.58  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

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