data_[Hg2As2Se2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.5521]
_cell_length_b [5.3112]
_cell_length_c [7.9180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgAsSeCl]
_chemical_formula_sum '[Hg2 As2 Se2 Cl2]'
_cell_volume [226.1869]
_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
[
  Hg  Hg0  2  0.2115  0.0000  0.4742  1
  As  As1  2  0.2069  0.0000  0.1476  1
  Se  Se2  2  0.1154  0.5000  0.0910  1
  Cl  Cl3  2  0.4232  0.5000  0.6712  1
]