data_[As4Au2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6007]
_cell_length_b [4.1350]
_cell_length_c [12.4739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [As2AuCl]
_chemical_formula_sum '[As4 Au2 Cl2]'
_cell_volume [185.7231]
_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
[
  As  As0  2  0.0000  0.0000  0.0197  1
  As  As1  2  0.0000  0.5000  0.6697  1
  Au  Au2  2  0.0000  0.0000  0.5287  1
  Cl  Cl3  2  0.0000  0.5000  0.2820  1
]