data_[Cs4Hg4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0590]
_cell_length_b [19.3425]
_cell_length_c [3.2471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHgW]
_chemical_formula_sum '[Cs4 Hg4 W4]'
_cell_volume [373.1288]
_cell_formula_units_Z [4]
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  4  0.0000  0.1796  0.5000  1
  Hg  Hg1  4  0.0000  0.4153  0.0000  1
  W  W2  4  0.1551  0.0000  0.2937  1
]