data_[Ba12Rh4N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6678]
_cell_length_b [4.3225]
_cell_length_c [12.8908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6Rh2N]
_chemical_formula_sum '[Ba12 Rh4 N2]'
_cell_volume [770.6337]
_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  0.0032  0.0000  0.2042  1
  Ba  Ba1  4  0.1648  0.5000  0.5439  1
  Ba  Ba2  4  0.1818  0.0000  0.1162  1
  Rh  Rh3  4  0.1786  0.5000  0.3111  1
  N  N4  2  0.0000  0.0000  0.0000  1
]