data_[Zr6Si6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6912]
_cell_length_b [3.7967]
_cell_length_c [11.4907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrSiRh]
_chemical_formula_sum '[Zr6 Si6 Rh6]'
_cell_volume [291.8962]
_cell_formula_units_Z [6]
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
[
  Zr  Zr0  2  0.0186  0.7500  0.7075  1
  Zr  Zr1  2  0.3471  0.2500  0.0779  1
  Zr  Zr2  2  0.4739  0.2500  0.3809  1
  Si  Si3  2  0.2287  0.7500  0.9159  1
  Si  Si4  2  0.2311  0.2500  0.5794  1
  Si  Si5  2  0.2758  0.7500  0.2498  1
  Rh  Rh6  2  0.0119  0.7500  0.0942  1
  Rh  Rh7  2  0.1478  0.7500  0.4565  1
  Rh  Rh8  2  0.3552  0.2500  0.7941  1
]