# generated using pymatgen
data_LaAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74227809
_cell_length_b   6.13319346
_cell_length_c   6.13319390
_cell_angle_alpha   101.09396702
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl
_chemical_formula_sum   'La4 Al4'
_cell_volume   211.96546164
_cell_formula_units_Z   4
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  0.75000000  0.15832602  0.51310091  1.0
  La  La1  1  0.25000000  0.84167398  0.48689909  1.0
  La  La2  1  0.75000000  0.51310091  0.15832602  1.0
  La  La3  1  0.25000000  0.48689909  0.84167398  1.0
  Al  Al4  1  0.75000000  0.69831525  0.69831525  1.0
  Al  Al5  1  0.25000000  0.30168475  0.30168475  1.0
  Al  Al6  1  0.50000000  -0.00000000  -0.00000000  1.0
  Al  Al7  1  -0.00000000  -0.00000000  -0.00000000  1.0