# generated using pymatgen
data_Th2Zn16Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74816468
_cell_length_b   6.74816408
_cell_length_c   6.75492991
_cell_angle_alpha   82.90994734
_cell_angle_beta   82.90994950
_cell_angle_gamma   82.61130319
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Zn16Cu
_chemical_formula_sum   'Th2 Zn16 Cu1'
_cell_volume   300.90396171
_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
  Th  Th0  1  0.66205140  0.66205140  0.66172632  1.0
  Th  Th1  1  0.33795060  0.33795060  0.33827268  1.0
  Zn  Zn2  1  0.34520453  0.84422843  0.34983298  1.0
  Zn  Zn3  1  0.29164491  0.70835409  0.00000100  1.0
  Zn  Zn4  1  0.34899735  0.34899735  0.83664546  1.0
  Zn  Zn5  1  0.15577057  0.65479447  0.65016802  1.0
  Zn  Zn6  1  0.84422843  0.34520453  0.34983298  1.0
  Zn  Zn7  1  0.65100265  0.65100265  0.16335554  1.0
  Zn  Zn8  1  0.65479447  0.15577057  0.65016802  1.0
  Zn  Zn9  1  0.90317430  0.90317430  0.89492253  1.0
  Zn  Zn10  1  0.09682470  0.09682470  0.10507747  1.0
  Zn  Zn11  1  0.00000000  0.49999900  0.00000000  1.0
  Zn  Zn12  1  0.49999900  0.00000000  0.00000000  1.0
  Zn  Zn13  1  0.28702032  0.99944097  0.70828430  1.0
  Zn  Zn14  1  0.00055903  0.71297868  0.29171670  1.0
  Zn  Zn15  1  0.71297868  0.00055903  0.29171670  1.0
  Zn  Zn16  1  0.70835409  0.29164491  0.00000100  1.0
  Zn  Zn17  1  0.99944097  0.28702032  0.70828430  1.0
  Cu  Cu18  1  0.00000000  0.00000000  0.50000000  1.0