# generated using pymatgen
data_AlCuCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43511276
_cell_length_b   5.43511276
_cell_length_c   9.97693899
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuCl4
_chemical_formula_sum   'Al2 Cu2 Cl8'
_cell_volume   294.72327451
_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
  Al  Al0  1  -0.00000000  0.50000000  0.25000000  1.0
  Al  Al1  1  0.50000000  -0.00000000  0.75000000  1.0
  Cu  Cu2  1  -0.00000000  -0.00000000  0.00000000  1.0
  Cu  Cu3  1  -0.00000000  -0.00000000  0.50000000  1.0
  Cl  Cl4  1  0.27170175  0.23288343  0.87248764  1.0
  Cl  Cl5  1  0.72829825  0.76711657  0.87248764  1.0
  Cl  Cl6  1  0.23288343  0.27170175  0.37248764  1.0
  Cl  Cl7  1  0.27170175  0.76711657  0.62751236  1.0
  Cl  Cl8  1  0.72829825  0.23288343  0.62751236  1.0
  Cl  Cl9  1  0.23288343  0.72829825  0.12751236  1.0
  Cl  Cl10  1  0.76711657  0.27170175  0.12751236  1.0
  Cl  Cl11  1  0.76711657  0.72829825  0.37248764  1.0