data_[Ca8Sn12Rh16]
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 [Cmce]
_cell_length_a [6.1009]
_cell_length_b [15.9476]
_cell_length_c [7.4444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ca2Sn3Rh4]
_chemical_formula_sum '[Ca8 Sn12 Rh16]'
_cell_volume [724.3061]
_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  8  0.0000  0.1009  0.4185  1
  Sn  Sn1  8  0.2500  0.2336  0.7500  1
  Sn  Sn2  4  0.0000  0.0000  0.0000  1
  Rh  Rh3  8  0.0000  0.1726  0.0240  1
  Rh  Rh4  8  0.2500  0.0681  0.7500  1
]