data_[Cs4Hg4Sb4]
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 [Amm2]
_cell_length_a [4.3104]
_cell_length_b [18.0221]
_cell_length_c [6.7829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CsHgSb]
_chemical_formula_sum '[Cs4 Hg4 Sb4]'
_cell_volume [526.9165]
_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  0.1532  0.2728  1.0
  Hg  Hg1  4  0.5000  0.1601  0.7802  1.0
  Sb  Sb2  2  0.0000  0.0000  0.7209  1.0
  Sb  Sb3  2  0.5000  0.0000  0.0060  1.0
]