data_[Ba12As4Rh2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  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 [8.1113]
_cell_length_b [14.0486]
_cell_length_c [8.2000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6As2RhCl3]
_chemical_formula_sum '[Ba12 As4 Rh2 Cl6]'
_cell_volume [882.1281]
_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  8  0.2352  0.1610  0.2224  1.0
  Ba  Ba1  4  0.2480  0.0000  0.7795  1.0
  As  As2  4  0.0000  0.3331  0.0000  1.0
  Rh  Rh3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1658  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]