# generated using pymatgen
data_Ca(Al2Cu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09881202
_cell_length_b   6.70215866
_cell_length_c   6.70163892
_cell_angle_alpha   81.68451031
_cell_angle_beta   67.65374886
_cell_angle_gamma   67.64241947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Al2Cu)4
_chemical_formula_sum   'Ca1 Al8 Cu4'
_cell_volume   195.89434361
_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
  Ca  Ca0  1  -0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.34846646  0.65160640  0.65159786  1.0
  Al  Al2  1  0.00007287  0.34839360  0.65159786  1.0
  Al  Al3  1  0.99992713  0.65160640  0.34840214  1.0
  Al  Al4  1  0.65153354  0.34839360  0.34840214  1.0
  Al  Al5  1  0.27900930  0.22105241  0.22104715  1.0
  Al  Al6  1  0.50006171  0.77894759  0.22104715  1.0
  Al  Al7  1  0.49993829  0.22105241  0.77895285  1.0
  Al  Al8  1  0.72099070  0.77894759  0.77895285  1.0
  Cu  Cu9  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu10  1  -0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu11  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu12  1  -0.00000000  0.00000000  0.50000000  1.0