data_[Ba4Ca12Rh4]
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 [Cm]
_cell_length_a [13.1689]
_cell_length_b [8.1736]
_cell_length_c [9.6166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.8158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaCa3Rh]
_chemical_formula_sum '[Ba4 Ca12 Rh4]'
_cell_volume [759.2956]
_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
[
  Ba  Ba0  2  0.0207  0.5000  0.4866  1.0
  Ba  Ba1  2  0.1160  0.5000  0.1476  1.0
  Ca  Ca2  4  0.2740  0.2410  0.9787  1.0
  Ca  Ca3  4  0.3635  0.2511  0.6599  1.0
  Ca  Ca4  2  0.0344  0.0000  0.4846  1.0
  Ca  Ca5  2  0.0944  0.0000  0.1227  1.0
  Rh  Rh6  2  0.0693  0.0000  0.8107  1.0
  Rh  Rh7  2  0.3113  0.0000  0.8136  1.0
]