data_[Zr24Rh18]
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 [12.5192]
_cell_length_b [12.5192]
_cell_length_c [5.7480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zr4Rh3]
_chemical_formula_sum '[Zr24 Rh18]'
_cell_volume [780.1992]
_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  0.0496  0.2433  0.1677  1.0
  Zr  Zr1  3  0.0000  -0.0000  0.0000  1.0
  Zr  Zr2  3  0.0000  -0.0000  0.5000  1.0
  Rh  Rh3  18  0.0468  0.2380  0.6732  1.0
]