# generated using pymatgen
data_CaTh3Zn8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53244225
_cell_length_b   7.37298932
_cell_length_c   7.55191905
_cell_angle_alpha   90.00494364
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTh3Zn8
_chemical_formula_sum   'Ca1 Th3 Zn8'
_cell_volume   252.36737367
_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  0.25000000  0.00002554  0.27982552  1.0
  Th  Th1  1  0.25000000  0.50001328  0.21701381  1.0
  Th  Th2  1  0.75000000  0.49998176  0.78754848  1.0
  Th  Th3  1  0.75000000  0.99998538  0.70822567  1.0
  Zn  Zn4  1  0.25000000  0.70354899  0.58588374  1.0
  Zn  Zn5  1  0.75000000  0.30467164  0.41607885  1.0
  Zn  Zn6  1  0.75000000  0.79962307  0.08603916  1.0
  Zn  Zn7  1  0.25000000  0.19793659  0.91565703  1.0
  Zn  Zn8  1  0.25000000  0.80216598  0.91579433  1.0
  Zn  Zn9  1  0.75000000  0.20033135  0.08594261  1.0
  Zn  Zn10  1  0.75000000  0.69516834  0.41621304  1.0
  Zn  Zn11  1  0.25000000  0.29654809  0.58577476  1.0