# generated using pymatgen
data_CaAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31792522
_cell_length_b   4.31792524
_cell_length_c   6.39277749
_cell_angle_alpha   109.73796089
_cell_angle_beta   109.73797066
_cell_angle_gamma   90.00000473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAl4
_chemical_formula_sum   'Ca1 Al4'
_cell_volume   104.71719698
_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  0.25000000  0.75000000  0.50000000  1.0
  Al  Al2  1  0.38658461  0.38658461  0.77316923  1.0
  Al  Al3  1  0.61341539  0.61341539  0.22683077  1.0
  Al  Al4  1  0.75000000  0.25000000  0.50000000  1.0