data_As5Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As5Rh
_chemical_formula_sum   'As5 Rh1'
_cell_volume   122.6
_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  0.51  0.45  0.0  1.0
  As  As1  1  0.0  0.9  0.0  1.0
  As  As2  1  0.74  0.17  0.81  1.0
  As  As3  1  0.26  0.17  0.81  1.0
  As  As4  1  0.51  0.0  0.81  1.0
  Rh  Rh5  1  0.0  0.0  0.0  1.0

data_As5Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As5Rh
_chemical_formula_sum   'As5 Rh1'
_cell_volume   122.6
_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  0.9  0.0  1.0
  As  As1  1  0.26  0.17  0.81  1.0
  As  As2  1  0.51  0.0  0.81  1.0
  As  As3  1  0.51  0.45  0.0  1.0
  As  As4  1  0.74  0.17  0.81  1.0
  Rh  Rh5  1  0.0  0.0  0.0  1.0

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