# generated using pymatgen
data_La5Sn2BiI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87073366
_cell_length_b   9.87073311
_cell_length_c   7.09468859
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.49105683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Sn2BiI
_chemical_formula_sum   'La10 Sn4 Bi2 I2'
_cell_volume   595.65184609
_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
  La  La0  1  0.27922136  0.99543474  0.75000000  1.0
  La  La1  1  0.72077864  0.00456526  0.25000000  1.0
  La  La2  1  0.99543474  0.27922136  0.75000000  1.0
  La  La3  1  0.00456526  0.72077864  0.25000000  1.0
  La  La4  1  0.72218142  0.72218142  0.75000000  1.0
  La  La5  1  0.27781858  0.27781858  0.25000000  1.0
  La  La6  1  0.33012049  0.66987951  0.50000000  1.0
  La  La7  1  0.66987951  0.33012049  0.50000000  1.0
  La  La8  1  0.66987951  0.33012049  0.00000000  1.0
  La  La9  1  0.33012049  0.66987951  0.00000000  1.0
  Sn  Sn10  1  0.61594471  0.99854732  0.75000000  1.0
  Sn  Sn11  1  0.38405529  0.00145268  0.25000000  1.0
  Sn  Sn12  1  0.99854732  0.61594471  0.75000000  1.0
  Sn  Sn13  1  0.00145268  0.38405529  0.25000000  1.0
  Bi  Bi14  1  0.38229976  0.38229976  0.75000000  1.0
  Bi  Bi15  1  0.61770024  0.61770024  0.25000000  1.0
  I  I16  1  0.00000000  0.00000000  0.50000000  1.0
  I  I17  1  0.00000000  0.00000000  0.00000000  1.0