# generated using pymatgen
data_Ba2SnTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97145174
_cell_length_b   7.07257850
_cell_length_c   24.61827866
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnTe5
_chemical_formula_sum   'Ba8 Sn4 Te20'
_cell_volume   1213.83228654
_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  0.99400695  0.99001227  0.90076268  1.0
  Ba  Ba1  1  0.99400695  0.99001227  0.59923732  1.0
  Ba  Ba2  1  0.00599305  0.00998773  0.40076268  1.0
  Ba  Ba3  1  0.49400695  0.50998773  0.90076268  1.0
  Ba  Ba4  1  0.49400695  0.50998773  0.59923732  1.0
  Ba  Ba5  1  0.50599305  0.49001227  0.40076268  1.0
  Ba  Ba6  1  0.50599305  0.49001227  0.09923732  1.0
  Ba  Ba7  1  0.00599305  0.00998773  0.09923732  1.0
  Sn  Sn8  1  0.89875916  0.41284079  0.25000000  1.0
  Sn  Sn9  1  0.60124084  0.91284079  0.75000000  1.0
  Sn  Sn10  1  0.39875916  0.08715921  0.25000000  1.0
  Sn  Sn11  1  0.10124084  0.58715921  0.75000000  1.0
  Te  Te12  1  0.50515360  0.52453939  0.75000000  1.0
  Te  Te13  1  0.99484640  0.02453939  0.25000000  1.0
  Te  Te14  1  0.99258179  0.48326662  0.85345463  1.0
  Te  Te15  1  0.35773228  0.14136539  0.99717164  1.0
  Te  Te16  1  0.49258179  0.01673338  0.64654537  1.0
  Te  Te17  1  0.85773228  0.35863461  0.99717164  1.0
  Te  Te18  1  0.00741821  0.51673338  0.35345463  1.0
  Te  Te19  1  0.00515360  0.97546061  0.75000000  1.0
  Te  Te20  1  0.49258179  0.01673338  0.85345463  1.0
  Te  Te21  1  0.64226772  0.85863461  0.00282836  1.0
  Te  Te22  1  0.14226772  0.64136539  0.49717164  1.0
  Te  Te23  1  0.50741821  0.98326662  0.14654537  1.0
  Te  Te24  1  0.64226772  0.85863461  0.49717164  1.0
  Te  Te25  1  0.00741821  0.51673338  0.14654537  1.0
  Te  Te26  1  0.35773228  0.14136539  0.50282836  1.0
  Te  Te27  1  0.49484640  0.47546061  0.25000000  1.0
  Te  Te28  1  0.50741821  0.98326662  0.35345463  1.0
  Te  Te29  1  0.85773228  0.35863461  0.50282836  1.0
  Te  Te30  1  0.99258179  0.48326662  0.64654537  1.0
  Te  Te31  1  0.14226772  0.64136539  0.00282836  1.0