# generated using pymatgen
data_Ba2Pd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61674542
_cell_length_b   4.61674433
_cell_length_c   17.66064835
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Pd2Br
_chemical_formula_sum   'Ba4 Pd4 Br2'
_cell_volume   325.99358414
_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  0.11414232  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.38585768  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.61414232  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.88585768  1.0
  Pd  Pd4  1  0.33333300  0.66666600  0.00104091  1.0
  Pd  Pd5  1  0.33333300  0.66666600  0.49895909  1.0
  Pd  Pd6  1  0.66666800  0.33333400  0.50104091  1.0
  Pd  Pd7  1  0.66666800  0.33333400  0.99895909  1.0
  Br  Br8  1  0.66666800  0.33333400  0.25000000  1.0
  Br  Br9  1  0.33333300  0.66666600  0.75000000  1.0