# generated using pymatgen
data_Ba3(AlSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31998049
_cell_length_b   5.16837371
_cell_length_c   10.53270888
_cell_angle_alpha   104.20315658
_cell_angle_beta   101.83386788
_cell_angle_gamma   89.99999769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3(AlSi)2
_chemical_formula_sum   'Ba3 Al2 Si2'
_cell_volume   222.81871372
_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  0.50000000  -0.00000000  0.00000000  1.0
  Ba  Ba1  1  0.81537796  0.81544414  0.63075393  1.0
  Ba  Ba2  1  0.18462204  0.18455586  0.36924607  1.0
  Al  Al3  1  0.06505873  0.56530655  0.13011746  1.0
  Al  Al4  1  0.93494127  0.43469345  0.86988254  1.0
  Si  Si5  1  0.63281961  0.63214545  0.26563922  1.0
  Si  Si6  1  0.36718039  0.36785455  0.73436078  1.0