data_[Zr16Al4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9205]
_cell_length_b [12.5157]
_cell_length_c [5.4101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4AlRh]
_chemical_formula_sum '[Zr16 Al4 Rh4]'
_cell_volume [504.6851]
_cell_formula_units_Z [4]
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  8  0.1104  0.1889  0.5697  1
  Zr  Zr1  8  0.2058  0.4185  0.8403  1
  Al  Al2  4  0.0000  0.3802  0.2500  1
  Rh  Rh3  4  0.0000  0.0065  0.2500  1
]