data_[Ba12Ag2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1226]
_cell_length_b [6.0911]
_cell_length_c [10.4491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6AgRh2]
_chemical_formula_sum '[Ba12 Ag2 Rh4]'
_cell_volume [844.7996]
_cell_formula_units_Z [2]
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  0.0185  0.0000  0.1990  1.0
  Ba  Ba1  4  0.1571  0.5000  0.5939  1.0
  Ba  Ba2  4  0.2011  0.5000  0.0857  1.0
  Ag  Ag3  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh4  4  0.1804  0.0000  0.1073  1.0
]