data_[Cs3Hg7Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4921]
_cell_length_b [5.5671]
_cell_length_c [13.3101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs3Hg7Sb2]
_chemical_formula_sum '[Cs3 Hg7 Sb2]'
_cell_volume [476.3059]
_cell_formula_units_Z [1]
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  0.2996  0.5000  0.6195  1
  Cs  Cs1  1  0.5000  0.5000  0.0000  1
  Hg  Hg2  2  0.1465  0.5000  0.2489  1
  Hg  Hg3  2  0.1895  0.0000  0.3993  1
  Hg  Hg4  2  0.3729  0.0000  0.1946  1
  Hg  Hg5  1  0.0000  0.0000  0.0000  1
  Sb  Sb6  2  0.1672  0.0000  0.8198  1
]