data_[Cs2Ba2Ho2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.7043]
_cell_length_b [7.7043]
_cell_length_c [14.3945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [CsBaHoCl6]
_chemical_formula_sum '[Cs2 Ba2 Ho2 Cl12]'
_cell_volume [739.9248]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.0000  1.0
  Ba  Ba1  2  0.3333  0.6667  0.7500  1.0
  Ho  Ho2  2  0.3333  0.6667  0.2500  1.0
  Cl  Cl3  12  0.0428  0.3961  0.1440  1.0
]