data_As5Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   11.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As5Rh
_chemical_formula_sum   'As5 Rh1'
_cell_volume   108.79
_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  0.0  0.0  0.08  1.0
  As  As1  1  0.0  0.0  0.15  1.0
  As  As2  1  0.56  0.56  0.84  1.0
  As  As3  1  0.56  0.56  0.4  1.0
  As  As4  1  0.0  0.0  0.0  1.0
  Rh  Rh5  1  0.56  0.56  0.62  1.0

data_As5Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   11.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   As5Rh
_chemical_formula_sum   'As10 Rh2'
_cell_volume   217.58
_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  0.0  0.0  0.0  1.0
  As  As1  2  0.0  0.0  0.08  1.0
  As  As2  2  0.0  0.0  0.15  1.0
  As  As3  2  0.06  0.5  0.4  1.0
  As  As4  2  0.06  0.5  0.84  1.0
  Rh  Rh5  2  0.06  0.5  0.62  1.0

As As As As As Rh
As As As As As Rh 0 1 o o o 0 4 o o o 2 4 o o + 2 4 o + + 2 4 + o + 2 4 + + + 2 2 + o o 2 2 o + o 2 5 o o o 3 3 + o o 3 3 o + o 3 5 o o o 