data_[Zr18Rh24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2911]
_cell_length_b [12.2911]
_cell_length_c [5.6208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zr3Rh4]
_chemical_formula_sum '[Zr18 Rh24]'
_cell_volume [735.3778]
_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  18  0.0390  0.8229  0.7246  1.0
  Rh  Rh1  18  0.0445  0.7910  0.2131  1.0
  Rh  Rh2  3  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  3  0.0000  0.0000  0.5000  1.0
]