# generated using pymatgen
data_Lu(AlCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54556190
_cell_length_b   6.54556190
_cell_length_c   6.54556190
_cell_angle_alpha   135.29298165
_cell_angle_beta   99.08875187
_cell_angle_gamma   97.54601973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu(AlCu)6
_chemical_formula_sum   'Lu1 Al6 Cu6'
_cell_volume   182.43770286
_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
  Lu  Lu0  1  0.00000000  -0.00000000  0.00000000  1.0
  Al  Al1  1  0.65182730  0.65182730  0.00000000  1.0
  Al  Al2  1  0.34817270  0.34817270  -0.00000000  1.0
  Al  Al3  1  0.34574378  0.00000000  0.34574378  1.0
  Al  Al4  1  0.65425622  -0.00000000  0.65425622  1.0
  Al  Al5  1  0.19887170  0.69887170  0.50000000  1.0
  Al  Al6  1  0.80112830  0.30112830  0.50000000  1.0
  Cu  Cu7  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu8  1  0.50000000  -0.00000000  0.00000000  1.0
  Cu  Cu9  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu10  1  0.00000000  -0.00000000  0.50000000  1.0
  Cu  Cu11  1  0.77138189  0.50000000  0.27138189  1.0
  Cu  Cu12  1  0.22861811  0.50000000  0.72861811  1.0