# generated using pymatgen
data_Ba3P3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48783609
_cell_length_b   14.07773071
_cell_length_c   16.80435800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3P3Br2
_chemical_formula_sum   'Ba12 P12 Br8'
_cell_volume   1061.67493748
_cell_formula_units_Z   4
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  0.25000000  0.45320718  0.63632522  1.0
  Ba  Ba1  1  0.75000000  0.54679282  0.36367478  1.0
  Ba  Ba2  1  0.75000000  0.95320718  0.86367478  1.0
  Ba  Ba3  1  0.25000000  0.04679282  0.13632522  1.0
  Ba  Ba4  1  0.25000000  0.71610373  0.15041657  1.0
  Ba  Ba5  1  0.75000000  0.28389627  0.84958343  1.0
  Ba  Ba6  1  0.75000000  0.21610373  0.34958343  1.0
  Ba  Ba7  1  0.25000000  0.78389627  0.65041657  1.0
  Ba  Ba8  1  0.25000000  0.60911600  0.87562805  1.0
  Ba  Ba9  1  0.75000000  0.39088400  0.12437195  1.0
  Ba  Ba10  1  0.75000000  0.10911600  0.62437195  1.0
  Ba  Ba11  1  0.25000000  0.89088400  0.37562805  1.0
  P  P12  1  0.25000000  0.37912700  0.28705182  1.0
  P  P13  1  0.75000000  0.62087300  0.71294818  1.0
  P  P14  1  0.75000000  0.87912700  0.21294818  1.0
  P  P15  1  0.25000000  0.12087300  0.78705182  1.0
  P  P16  1  0.25000000  0.25643617  0.21196901  1.0
  P  P17  1  0.75000000  0.74356383  0.78803099  1.0
  P  P18  1  0.75000000  0.75643617  0.28803099  1.0
  P  P19  1  0.25000000  0.24356383  0.71196901  1.0
  P  P20  1  0.25000000  0.51121952  0.22533717  1.0
  P  P21  1  0.75000000  0.48878048  0.77466283  1.0
  P  P22  1  0.75000000  0.01121952  0.27466283  1.0
  P  P23  1  0.25000000  0.98878048  0.72533717  1.0
  Br  Br24  1  0.25000000  0.11472470  0.47253125  1.0
  Br  Br25  1  0.75000000  0.88527530  0.52746875  1.0
  Br  Br26  1  0.75000000  0.61472470  0.02746875  1.0
  Br  Br27  1  0.25000000  0.38527530  0.97253125  1.0
  Br  Br28  1  0.25000000  0.62950998  0.49322816  1.0
  Br  Br29  1  0.75000000  0.37049002  0.50677184  1.0
  Br  Br30  1  0.75000000  0.12950998  0.00677184  1.0
  Br  Br31  1  0.25000000  0.87049002  0.99322816  1.0