data_[Ca8Sn8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1588]
_cell_length_b [4.6408]
_cell_length_c [11.1831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Sn2Rh]
_chemical_formula_sum '[Ca8 Sn8 Rh4]'
_cell_volume [518.3232]
_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
[
  Ca  Ca0  4  0.0045  0.0000  0.6694  1.0
  Ca  Ca1  4  0.1861  0.0000  0.1136  1.0
  Sn  Sn2  4  0.0176  0.5000  0.8771  1.0
  Sn  Sn3  4  0.1627  0.5000  0.5580  1.0
  Rh  Rh4  4  0.2195  0.5000  0.3427  1.0
]