# generated using pymatgen
data_BaCa2Al3Ga2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66943009
_cell_length_b   5.66943006
_cell_length_c   13.98801825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa2Al3Ga2
_chemical_formula_sum   'Ba2 Ca4 Al6 Ga4'
_cell_volume   389.37279356
_cell_formula_units_Z   2
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
  Ba  Ba1  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca2  1  0.33333300  0.66666700  0.87346397  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.37346397  1.0
  Ca  Ca4  1  0.66666700  0.33333300  0.12653603  1.0
  Ca  Ca5  1  0.33333300  0.66666700  0.62653603  1.0
  Al  Al6  1  0.83752965  0.67505930  0.75000000  1.0
  Al  Al7  1  0.67505930  0.83752965  0.25000000  1.0
  Al  Al8  1  0.83752965  0.16247035  0.75000000  1.0
  Al  Al9  1  0.16247035  0.83752965  0.25000000  1.0
  Al  Al10  1  0.32494070  0.16247035  0.75000000  1.0
  Al  Al11  1  0.16247035  0.32494070  0.25000000  1.0
  Ga  Ga12  1  0.66666700  0.33333300  0.89833381  1.0
  Ga  Ga13  1  0.33333300  0.66666700  0.10166619  1.0
  Ga  Ga14  1  0.33333300  0.66666700  0.39833381  1.0
  Ga  Ga15  1  0.66666700  0.33333300  0.60166619  1.0