data_[Si6As4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2876]
_cell_length_b [5.7332]
_cell_length_c [7.7928]
_cell_angle_alpha [95.5179]
_cell_angle_beta [93.0350]
_cell_angle_gamma [109.5108]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si3As2Rh]
_chemical_formula_sum '[Si6 As4 Rh2]'
_cell_volume [220.7302]
_cell_formula_units_Z [2]
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
[
  Si  Si0  1  0.0497  0.4638  0.4170  1.0
  Si  Si1  1  0.2077  0.7446  0.8040  1.0
  Si  Si2  1  0.3288  0.0089  0.2087  1.0
  Si  Si3  1  0.5826  0.3431  0.6663  1.0
  Si  Si4  1  0.6487  0.9804  0.7510  1.0
  Si  Si5  1  0.6892  0.6156  0.0728  1.0
  As  As6  1  0.1818  0.1203  0.4808  1.0
  As  As7  1  0.2942  0.3864  0.8883  1.0
  As  As8  1  0.4935  0.7051  0.3358  1.0
  As  As9  1  0.7822  0.2566  0.1503  1.0
  Rh  Rh10  1  0.8670  0.7288  0.5908  1.0
  Rh  Rh11  1  0.9872  0.9721  0.9719  1.0
]