# generated using pymatgen
data_La5Pb3I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85568109
_cell_length_b   9.85568420
_cell_length_c   7.20191165
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000856
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Pb3I
_chemical_formula_sum   'La10 Pb6 I2'
_cell_volume   605.83143611
_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  0.72279883  0.00000000  0.75000000  1.0
  La  La1  1  0.00000000  0.27720117  0.25000000  1.0
  La  La2  1  0.72279883  0.72279883  0.25000000  1.0
  La  La3  1  0.33333300  0.66666700  0.50000000  1.0
  La  La4  1  0.33333300  0.66666700  0.00000000  1.0
  La  La5  1  0.66666700  0.33333300  0.50000000  1.0
  La  La6  1  0.66666700  0.33333300  0.00000000  1.0
  La  La7  1  0.27720117  -0.00000000  0.25000000  1.0
  La  La8  1  0.27720117  0.27720117  0.75000000  1.0
  La  La9  1  -0.00000000  0.72279883  0.75000000  1.0
  Pb  Pb10  1  0.38370454  -0.00000000  0.75000000  1.0
  Pb  Pb11  1  0.61629546  0.00000000  0.25000000  1.0
  Pb  Pb12  1  -0.00000000  0.61629546  0.25000000  1.0
  Pb  Pb13  1  0.61629546  0.61629546  0.75000000  1.0
  Pb  Pb14  1  0.00000000  0.38370454  0.75000000  1.0
  Pb  Pb15  1  0.38370454  0.38370454  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