data_[Ca4Si12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9769]
_cell_length_b [21.9733]
_cell_length_c [4.2013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaSi3Rh]
_chemical_formula_sum '[Ca4 Si12 Rh4]'
_cell_volume [367.1329]
_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  0.0000  0.3307  0.5000  1.0
  Si  Si1  4  0.0000  0.0535  0.5000  1.0
  Si  Si2  4  0.0000  0.2183  0.0000  1.0
  Si  Si3  4  0.0000  0.4470  0.0000  1.0
  Rh  Rh4  4  0.0000  0.1082  0.0000  1.0
]