data_[Li1Hg1As1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P1]
_cell_length_a [6.5699]
_cell_length_b [6.7295]
_cell_length_c [6.8036]
_cell_angle_alpha [81.1117]
_cell_angle_beta [69.2998]
_cell_angle_gamma [79.2182]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiHgAsCl6]
_chemical_formula_sum '[Li1 Hg1 As1 Cl6]'
_cell_volume [275.1339]
_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
[
  Li  Li0  1  0.2637  0.5686  0.4008  1.0
  Hg  Hg1  1  0.0047  0.9251  0.9633  1.0
  As  As2  1  0.6886  0.4912  0.6182  1.0
  Cl  Cl3  1  0.3121  0.7069  0.0187  1.0
  Cl  Cl4  1  0.4471  0.2912  0.5956  1.0
  Cl  Cl5  1  0.6000  0.7328  0.3736  1.0
  Cl  Cl6  1  0.7288  0.2087  0.9917  1.0
  Cl  Cl7  1  0.9641  0.7502  0.6413  1.0
  Cl  Cl8  1  0.9907  0.3252  0.3967  1.0
]