data_[Cs3Cu6Mo3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.1842]
_cell_length_b [6.1842]
_cell_length_c [33.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsCu2MoCl8]
_chemical_formula_sum '[Cs3 Cu6 Mo3 Cl24]'
_cell_volume [1116.7257]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  6  0.0000  0.0000  0.2387  1.0
  Mo  Mo2  3  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  18  0.0110  0.3027  0.4544  1.0
  Cl  Cl4  6  0.0000  0.0000  0.3034  1.0
]