data_[Na4Ca16Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6987]
_cell_length_b [13.6300]
_cell_length_c [6.4761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCa4Rh]
_chemical_formula_sum '[Na4 Ca16 Rh4]'
_cell_volume [812.9729]
_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
[
  Na  Na0  4  0.0000  0.3822  0.2500  1
  Ca  Ca1  8  0.1020  0.1635  0.5535  1
  Ca  Ca2  8  0.2452  0.4190  0.8796  1
  Rh  Rh3  4  0.0000  0.0001  0.2500  1
]