# generated using pymatgen
data_CaTh3(ZnSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50002869
_cell_length_b   4.50003075
_cell_length_c   17.10111628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTh3(ZnSn)4
_chemical_formula_sum   'Ca1 Th3 Zn4 Sn4'
_cell_volume   299.90642526
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.25323808  1.0
  Th  Th2  1  0.00000000  0.00000000  0.74676192  1.0
  Th  Th3  1  0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn4  1  0.33333300  0.66666700  0.15647659  1.0
  Zn  Zn5  1  0.66666700  0.33333300  0.84352341  1.0
  Zn  Zn6  1  0.66666700  0.33333300  0.63571552  1.0
  Zn  Zn7  1  0.33333300  0.66666700  0.36428448  1.0
  Sn  Sn8  1  0.33333300  0.66666700  0.61939747  1.0
  Sn  Sn9  1  0.66666700  0.33333300  0.38060253  1.0
  Sn  Sn10  1  0.66666700  0.33333300  0.12106544  1.0
  Sn  Sn11  1  0.33333300  0.66666700  0.87893456  1.0