# generated using pymatgen
data_Ba6(BiSe2)13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30677400
_cell_length_b   17.52840600
_cell_length_c   18.81196552
_cell_angle_alpha   89.44501130
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6(BiSe2)13
_chemical_formula_sum   'Ba6 Bi13 Se26'
_cell_volume   1420.06527004
_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  0.00000000  0.74767500  0.26524800  1.0
  Ba  Ba1  1  0.50000000  0.24486000  0.73192300  1.0
  Ba  Ba2  1  0.00000000  0.26534000  0.17320000  1.0
  Ba  Ba3  1  0.50000000  0.74040000  0.82101600  1.0
  Ba  Ba4  1  0.00000000  0.48213500  0.34409700  1.0
  Ba  Ba5  1  0.50000000  0.51792300  0.65678300  1.0
  Bi  Bi6  1  0.00000000  0.07889600  0.58586900  1.0
  Bi  Bi7  1  0.50000000  0.92051500  0.43221400  1.0
  Bi  Bi8  1  0.00000000  0.32615400  0.52543500  1.0
  Bi  Bi9  1  0.50000000  0.67468000  0.47745600  1.0
  Bi  Bi10  1  0.00000000  0.09866000  0.97393700  1.0
  Bi  Bi11  1  0.50000000  0.90240100  0.02199000  1.0
  Bi  Bi12  1  0.00000000  0.68976300  0.04409800  1.0
  Bi  Bi13  1  0.50000000  0.30992600  0.95715300  1.0
  Bi  Bi14  1  0.00000000  0.51036000  0.88246900  1.0
  Bi  Bi15  1  0.50000000  0.48995600  0.11654600  1.0
  Bi  Bi16  1  0.00000000  0.83070800  0.62717200  1.0
  Bi  Bi17  1  0.50000000  0.17140300  0.38606500  1.0
  Bi  Bi18  1  0.00000000  0.01087700  0.25122300  1.0
  Se  Se19  1  0.00000000  0.27428800  0.36018000  1.0
  Se  Se20  1  0.50000000  0.72243900  0.63483000  1.0
  Se  Se21  1  0.00000000  0.39563600  0.03480900  1.0
  Se  Se22  1  0.50000000  0.60515800  0.96560000  1.0
  Se  Se23  1  0.00000000  0.60654800  0.76637800  1.0
  Se  Se24  1  0.50000000  0.39341000  0.23331400  1.0
  Se  Se25  1  0.00000000  0.57798800  0.17363000  1.0
  Se  Se26  1  0.50000000  0.42125800  0.82585500  1.0
  Se  Se27  1  0.00000000  0.86810200  0.76306900  1.0
  Se  Se28  1  0.50000000  0.12975100  0.23938500  1.0
  Se  Se29  1  0.00000000  0.98431600  0.09408700  1.0
  Se  Se30  1  0.50000000  0.01444200  0.90787500  1.0
  Se  Se31  1  0.00000000  0.10462700  0.72238400  1.0
  Se  Se32  1  0.50000000  0.89879600  0.27526300  1.0
  Se  Se33  1  0.00000000  0.03952800  0.40562900  1.0
  Se  Se34  1  0.50000000  0.95838100  0.58357400  1.0
  Se  Se35  1  0.00000000  0.80573400  0.44072400  1.0
  Se  Se36  1  0.50000000  0.19673200  0.54939700  1.0
  Se  Se37  1  0.00000000  0.81366600  0.94533400  1.0
  Se  Se38  1  0.50000000  0.18993100  0.05699600  1.0
  Se  Se39  1  0.00000000  0.37367300  0.66499700  1.0
  Se  Se40  1  0.50000000  0.62719900  0.33524100  1.0
  Se  Se41  1  0.00000000  0.57346500  0.51161600  1.0
  Se  Se42  1  0.50000000  0.42691100  0.48605300  1.0
  Se  Se43  1  0.00000000  0.23299900  0.87664500  1.0
  Se  Se44  1  0.50000000  0.76408800  0.12494200  1.0