# generated using pymatgen
data_AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51894635
_cell_length_b   6.51894569
_cell_length_c   6.51894459
_cell_angle_alpha   96.98049784
_cell_angle_beta   116.05503939
_cell_angle_gamma   116.05503048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AuCl
_chemical_formula_sum   'Au4 Cl4'
_cell_volume   205.91672243
_cell_formula_units_Z   4
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
  Au  Au0  1  0.00000000  -0.00000000  0.50000000  1.0
  Au  Au1  1  0.00000000  -0.00000000  -0.00000000  1.0
  Au  Au2  1  0.50000000  0.50000000  -0.00000000  1.0
  Au  Au3  1  0.50000000  -0.00000000  -0.00000000  1.0
  Cl  Cl4  1  0.25000000  0.82303959  0.57303959  1.0
  Cl  Cl5  1  0.25000000  0.42696041  0.17696041  1.0
  Cl  Cl6  1  0.75000000  0.57303959  0.82303959  1.0
  Cl  Cl7  1  0.75000000  0.17696041  0.42696041  1.0