# generated using pymatgen
data_Ba7Al13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06074637
_cell_length_b   6.06074572
_cell_length_c   17.30864408
_cell_angle_alpha   89.99999650
_cell_angle_beta   90.00001675
_cell_angle_gamma   120.00000352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba7Al13
_chemical_formula_sum   'Ba7 Al13'
_cell_volume   550.61220913
_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  0.66666700  0.33333300  0.32175514  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.67824486  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.10771635  1.0
  Ba  Ba3  1  0.33333300  0.66666700  0.89228365  1.0
  Ba  Ba4  1  -0.00000000  -0.00000000  0.60677665  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.39322335  1.0
  Ba  Ba6  1  0.00000000  0.00000000  -0.00000000  1.0
  Al  Al7  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al8  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al9  1  0.50000000  0.00000000  0.50000000  1.0
  Al  Al10  1  0.83842087  0.16157913  0.78372245  1.0
  Al  Al11  1  0.83842087  0.67684174  0.78372245  1.0
  Al  Al12  1  0.32315826  0.16157913  0.78372245  1.0
  Al  Al13  1  0.67684174  0.83842087  0.21627755  1.0
  Al  Al14  1  0.33333300  0.66666700  0.34636359  1.0
  Al  Al15  1  0.66666700  0.33333300  0.65363641  1.0
  Al  Al16  1  0.33333300  0.66666700  0.09983454  1.0
  Al  Al17  1  0.66666700  0.33333300  0.90016546  1.0
  Al  Al18  1  0.16157913  0.83842087  0.21627755  1.0
  Al  Al19  1  0.16157913  0.32315826  0.21627755  1.0