data_[Cs2Hg2As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9145]
_cell_length_b [4.3069]
_cell_length_c [9.1649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHgAs]
_chemical_formula_sum '[Cs2 Hg2 As2]'
_cell_volume [232.4608]
_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  0.0199  0.2500  0.7173  1.0
  Hg  Hg1  2  0.4225  0.2500  0.1051  1.0
  As  As2  2  0.4629  0.7500  0.5710  1.0
]