data_[Ca6Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1826]
_cell_length_b [5.3317]
_cell_length_c [9.2582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaRh3]
_chemical_formula_sum '[Ca6 Rh18]'
_cell_volume [426.6372]
_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
[
  Ca  Ca0  4  0.1400  0.0000  0.4189  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  8  0.1683  0.7484  0.7584  1.0
  Rh  Rh3  4  0.0857  0.5000  0.2518  1.0
  Rh  Rh4  4  0.1564  0.5000  0.9998  1.0
  Rh  Rh5  2  0.0000  0.5000  0.5000  1.0
]