data_[Hg1As2Cl1]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7011]
_cell_length_b [3.6001]
_cell_length_c [6.0569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HgAs2Cl]
_chemical_formula_sum '[Hg1 As2 Cl1]'
_cell_volume [121.8135]
_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
[
  Hg  Hg0  1  0.3478  0.5000  0.4436  1
  As  As1  1  0.8384  0.5000  0.4416  1
  As  As2  1  0.8497  0.0000  0.1578  1
  Cl  Cl3  1  0.4641  0.0000  0.9570  1
]