data_[Ba8Ca24Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7630]
_cell_length_b [13.9319]
_cell_length_c [7.2924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaCa3Rh]
_chemical_formula_sum '[Ba8 Ca24 Rh8]'
_cell_volume [1456.6848]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  4  0.0000  0.0055  0.2500  1.0
  Ba  Ba1  4  0.0000  0.4720  0.2500  1.0
  Ca  Ca2  8  0.0710  0.2725  0.5928  1.0
  Ca  Ca3  8  0.1823  0.1944  0.1264  1.0
  Ca  Ca4  8  0.2417  0.4469  0.3146  1.0
  Rh  Rh5  8  0.1351  0.3730  0.9512  1.0
]