# generated using pymatgen
data_La2AlCuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38722803
_cell_length_b   4.38722793
_cell_length_c   17.37258424
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000072
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AlCuI
_chemical_formula_sum   'La4 Al2 Cu2 I2'
_cell_volume   289.58459848
_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
  La  La0  1  0.00000000  0.00000000  0.39126440  1.0
  La  La1  1  0.00000000  0.00000000  0.89126440  1.0
  La  La2  1  0.00000000  0.00000000  0.61142546  1.0
  La  La3  1  0.00000000  0.00000000  0.11142546  1.0
  Al  Al4  1  0.33333300  0.66666700  0.50591717  1.0
  Al  Al5  1  0.66666700  0.33333300  0.00591717  1.0
  Cu  Cu6  1  0.66666700  0.33333300  0.49225464  1.0
  Cu  Cu7  1  0.33333300  0.66666700  0.99225464  1.0
  I  I8  1  0.33333300  0.66666700  0.24913833  1.0
  I  I9  1  0.66666700  0.33333300  0.74913833  1.0