# generated using pymatgen
data_Th5AsPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.61047908
_cell_length_b   9.61047912
_cell_length_c   6.74701377
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5AsPb3
_chemical_formula_sum   'Th10 As2 Pb6'
_cell_volume   539.67493295
_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
  Th  Th0  1  0.74459435  0.74459435  0.75000000  1.0
  Th  Th1  1  0.25540565  1.00000000  0.75000000  1.0
  Th  Th2  1  1.00000000  0.25540565  0.75000000  1.0
  Th  Th3  1  0.25540565  0.25540565  0.25000000  1.0
  Th  Th4  1  0.74459435  0.00000000  0.25000000  1.0
  Th  Th5  1  0.00000000  0.74459435  0.25000000  1.0
  Th  Th6  1  0.66666700  0.33333300  0.00000000  1.0
  Th  Th7  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th8  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th9  1  0.66666700  0.33333300  0.50000000  1.0
  As  As10  1  0.00000000  0.00000000  0.00000000  1.0
  As  As11  1  0.00000000  0.00000000  0.50000000  1.0
  Pb  Pb12  1  0.39157076  0.39157076  0.75000000  1.0
  Pb  Pb13  1  0.60842924  1.00000000  0.75000000  1.0
  Pb  Pb14  1  1.00000000  0.60842924  0.75000000  1.0
  Pb  Pb15  1  0.60842924  0.60842924  0.25000000  1.0
  Pb  Pb16  1  0.39157076  0.00000000  0.25000000  1.0
  Pb  Pb17  1  0.00000000  0.39157076  0.25000000  1.0