data_[Cs2Zn2Hg2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3671]
_cell_length_b [4.3671]
_cell_length_c [13.6986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [CsZnHgAs]
_chemical_formula_sum '[Cs2 Zn2 Hg2 As2]'
_cell_volume [261.2553]
_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  0.5000  0.2426  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  As  As3  2  0.0000  0.5000  0.8947  1.0
]