data_[Ba12Rh4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3471]
_cell_length_b [14.2623]
_cell_length_c [7.9103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3RhCl]
_chemical_formula_sum '[Ba12 Rh4 Cl4]'
_cell_volume [877.2540]
_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  8  0.2396  0.3158  0.2720  1
  Ba  Ba1  4  0.2035  0.5000  0.7488  1
  Rh  Rh2  4  0.0000  0.3314  0.5000  1
  Cl  Cl3  4  0.0932  0.0000  0.8015  1
]