# generated using pymatgen
data_CsTh3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10093648
_cell_length_b   4.10093664
_cell_length_c   29.48162334
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTh3S4
_chemical_formula_sum   'Cs2 Th6 S8'
_cell_volume   429.38631942
_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
  Cs  Cs0  1  0.66666700  0.33333300  0.25000000  1.0
  Cs  Cs1  1  0.33333300  0.66666700  0.75000000  1.0
  Th  Th2  1  0.66666700  0.33333300  0.60854260  1.0
  Th  Th3  1  0.66666700  0.33333300  0.89145740  1.0
  Th  Th4  1  0.33333300  0.66666700  0.39145740  1.0
  Th  Th5  1  0.33333300  0.66666700  0.10854260  1.0
  Th  Th6  1  0.00000000  0.00000000  0.50000000  1.0
  Th  Th7  1  0.00000000  0.00000000  0.00000000  1.0
  S  S8  1  0.00000000  0.00000000  0.16376861  1.0
  S  S9  1  0.66666700  0.33333300  0.44527726  1.0
  S  S10  1  0.00000000  0.00000000  0.66376861  1.0
  S  S11  1  0.33333300  0.66666700  0.94527726  1.0
  S  S12  1  0.33333300  0.66666700  0.55472274  1.0
  S  S13  1  0.00000000  0.00000000  0.33623139  1.0
  S  S14  1  0.66666700  0.33333300  0.05472274  1.0
  S  S15  1  0.00000000  0.00000000  0.83623139  1.0