data_[Ba4Cd2Rh2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0123]
_cell_length_b [6.2306]
_cell_length_c [8.5832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2CdRhSe6]
_chemical_formula_sum '[Ba4 Cd2 Rh2 Se12]'
_cell_volume [540.4283]
_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  0.2359  0.5000  0.7597  1
  Cd  Cd1  2  0.0000  0.5000  0.0000  1
  Rh  Rh2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.0601  0.2305  0.3256  1
  Se  Se4  4  0.2403  0.0000  0.8351  1
]