# generated using pymatgen
data_Ba2(CaAl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.38035223
_cell_length_b   12.38035223
_cell_length_c   12.38035293
_cell_angle_alpha   27.14474035
_cell_angle_beta   27.14474035
_cell_angle_gamma   27.14473987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2(CaAl3)3
_chemical_formula_sum   'Ba2 Ca3 Al9'
_cell_volume   348.46301284
_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  0.49815400  0.49815400  0.49815400  1.0
  Ba  Ba1  1  0.21688900  0.21688900  0.21688900  1.0
  Ca  Ca2  1  0.68303400  0.68303400  0.68303400  1.0
  Ca  Ca3  1  0.31755100  0.31755100  0.31755100  1.0
  Ca  Ca4  1  0.77983100  0.77983100  0.77983100  1.0
  Al  Al5  1  0.87856400  0.87856400  0.87856400  1.0
  Al  Al6  1  0.12144300  0.12144300  0.12144300  1.0
  Al  Al7  1  0.23611000  0.71920300  0.23611000  1.0
  Al  Al8  1  0.23611000  0.23611000  0.71920300  1.0
  Al  Al9  1  0.71920300  0.23611000  0.23611000  1.0
  Al  Al10  1  0.76583400  0.28082700  0.76583400  1.0
  Al  Al11  1  0.76583400  0.76583400  0.28082700  1.0
  Al  Al12  1  0.28082700  0.76583400  0.76583400  1.0
  Al  Al13  1  0.00061400  0.00061400  0.00061400  1.0