# generated using pymatgen
data_Ta5Al2GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79041247
_cell_length_b   7.79041208
_cell_length_c   5.30686768
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92905907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Al2GaB
_chemical_formula_sum   'Ta10 Al4 Ga2 B2'
_cell_volume   279.12567383
_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
  Ta  Ta0  1  0.24227385  0.00168650  0.25000000  1.0
  Ta  Ta1  1  0.75772615  0.99831350  0.75000000  1.0
  Ta  Ta2  1  0.00168650  0.24227385  0.25000000  1.0
  Ta  Ta3  1  0.99831350  0.75772615  0.75000000  1.0
  Ta  Ta4  1  0.75683540  0.75683540  0.25000000  1.0
  Ta  Ta5  1  0.24316460  0.24316460  0.75000000  1.0
  Ta  Ta6  1  0.33471305  0.66528695  0.00000000  1.0
  Ta  Ta7  1  0.66528695  0.33471305  0.00000000  1.0
  Ta  Ta8  1  0.66528695  0.33471305  0.50000000  1.0
  Ta  Ta9  1  0.33471305  0.66528695  0.50000000  1.0
  Al  Al10  1  0.59582210  0.00050331  0.25000000  1.0
  Al  Al11  1  0.40417790  0.99949669  0.75000000  1.0
  Al  Al12  1  0.00050331  0.59582210  0.25000000  1.0
  Al  Al13  1  0.99949669  0.40417790  0.75000000  1.0
  Ga  Ga14  1  0.40102772  0.40102772  0.25000000  1.0
  Ga  Ga15  1  0.59897228  0.59897228  0.75000000  1.0
  B  B16  1  0.00000000  0.00000000  0.00000000  1.0
  B  B17  1  0.00000000  0.00000000  0.50000000  1.0