# generated using pymatgen
data_Ba3Sn4Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36607800
_cell_length_b   9.36607800
_cell_length_c   9.44150283
_cell_angle_alpha   119.73609465
_cell_angle_beta   119.73609465
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Sn4Bi
_chemical_formula_sum   'Ba6 Sn8 Bi2'
_cell_volume   590.29613708
_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  0.25000000  0.25000000  0.50000000  1.0
  Ba  Ba1  1  0.75000000  0.75000000  0.50000000  1.0
  Ba  Ba2  1  0.66430200  0.16430200  0.00000000  1.0
  Ba  Ba3  1  0.33569800  0.83569800  0.00000000  1.0
  Ba  Ba4  1  0.83569800  0.66430200  0.00000000  1.0
  Ba  Ba5  1  0.16430200  0.33569800  0.00000000  1.0
  Sn  Sn6  1  0.33092300  0.83092300  0.38442100  1.0
  Sn  Sn7  1  0.66907700  0.16907700  0.61557900  1.0
  Sn  Sn8  1  0.05349900  0.55349900  0.38442100  1.0
  Sn  Sn9  1  0.55349900  0.33092300  0.38442100  1.0
  Sn  Sn10  1  0.16907700  0.94650100  0.61557900  1.0
  Sn  Sn11  1  0.94650100  0.44650100  0.61557900  1.0
  Sn  Sn12  1  0.44650100  0.66907700  0.61557900  1.0
  Sn  Sn13  1  0.83092300  0.05349900  0.38442100  1.0
  Bi  Bi14  1  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi15  1  0.50000000  0.50000000  0.00000000  1.0