data_[Ca8Sb8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0756]
_cell_length_b [4.6560]
_cell_length_c [11.0721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Sb2Rh]
_chemical_formula_sum '[Ca8 Sb8 Rh4]'
_cell_volume [508.6927]
_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  0.0060  0.0000  0.3370  1.0
  Ca  Ca1  4  0.1827  0.0000  0.1158  1.0
  Sb  Sb2  4  0.0182  0.5000  0.8722  1.0
  Sb  Sb3  4  0.1579  0.5000  0.5613  1.0
  Rh  Rh4  4  0.2228  0.5000  0.3489  1.0
]