data_[Na4Ca12Rh4]
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/m]
_cell_length_a [20.1464]
_cell_length_b [3.8980]
_cell_length_c [8.5573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCa3Rh]
_chemical_formula_sum '[Na4 Ca12 Rh4]'
_cell_volume [671.8578]
_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  0.2155  0.0000  0.8444  1.0
  Ca  Ca1  4  0.0343  0.0000  0.6845  1.0
  Ca  Ca2  4  0.0895  0.5000  0.0933  1.0
  Ca  Ca3  4  0.1644  0.0000  0.4177  1.0
  Rh  Rh4  4  0.0617  0.5000  0.4162  1.0
]