# generated using pymatgen
data_Th3AlZn2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96239990
_cell_length_b   6.96239998
_cell_length_c   4.28162801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.37767043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3AlZn2Cu3
_chemical_formula_sum   'Th3 Al1 Zn2 Cu3'
_cell_volume   179.05733234
_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  0.42426875  0.99778371  0.50000000  1.0
  Th  Th1  1  0.99778371  0.42426875  0.50000000  1.0
  Th  Th2  1  0.58160899  0.58160899  0.50000000  1.0
  Al  Al3  1  0.22363609  0.22363609  0.00000000  1.0
  Zn  Zn4  1  0.76830804  0.00169998  0.00000000  1.0
  Zn  Zn5  1  0.00169998  0.76830804  0.00000000  1.0
  Cu  Cu6  1  0.33387695  0.66135972  0.00000000  1.0
  Cu  Cu7  1  0.66135972  0.33387695  0.00000000  1.0
  Cu  Cu8  1  0.00745676  0.00745676  0.50000000  1.0