data_[Ca6Sn8Rh8]
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 [I-43m]
_cell_length_a [8.0570]
_cell_length_b [8.0570]
_cell_length_c [8.0570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Ca3(SnRh)4]
_chemical_formula_sum '[Ca6 Sn8 Rh8]'
_cell_volume [523.0126]
_cell_formula_units_Z [2]
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  6  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  8  0.1912  0.8088  0.8088  1.0
  Rh  Rh2  8  0.1270  0.1270  0.8730  1.0
]