data_AsRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRh2Cl
_chemical_formula_sum   'As1 Rh2 Cl1'
_cell_volume   67.89
_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
  As  As0  1  0.71  0.71  0.36  1.0
  Rh  Rh2  1  0.71  0.71  0.68  1.0
  Rh  Rh3  1  0.0  0.0  0.5  1.0
  Cl  Cl1  1  0.0  0.0  0.89  1.0

data_AsRh2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsRh2Cl
_chemical_formula_sum   'As2 Rh4 Cl2'
_cell_volume   135.78
_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
  As  As0  2  0.21  0.5  0.36  1.0
  Rh  Rh1  2  0.0  0.0  0.5  1.0
  Rh  Rh2  2  0.21  0.5  0.68  1.0
  Cl  Cl3  2  0.0  0.0  0.89  1.0

As Rh Rh Cl
As Rh Rh Cl 0 2 + + o 0 1 o o o 1 2 + + o 1 3 + + o 