# generated using pymatgen
data_Ba(AlSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13679294
_cell_length_b   4.13679343
_cell_length_c   7.39270126
_cell_angle_alpha   106.24761704
_cell_angle_beta   106.24762331
_cell_angle_gamma   89.99999391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(AlSi)2
_chemical_formula_sum   'Ba1 Al2 Si2'
_cell_volume   116.18682025
_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
  Ba  Ba0  1  -0.00000000  -0.00000000  0.00000000  1.0
  Al  Al1  1  0.75000000  0.25000000  0.50000000  1.0
  Al  Al2  1  0.25000000  0.75000000  0.50000000  1.0
  Si  Si3  1  0.35852014  0.35852014  0.71704127  1.0
  Si  Si4  1  0.64147986  0.64147986  0.28295873  1.0