# generated using pymatgen
data_Th3Cu3Sn3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47960855
_cell_length_b   8.50017745
_cell_length_c   8.47960764
_cell_angle_alpha   109.46528119
_cell_angle_beta   109.38226590
_cell_angle_gamma   109.46789286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Cu3Sn3Bi
_chemical_formula_sum   'Th6 Cu6 Sn6 Bi2'
_cell_volume   471.06708636
_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
  Th  Th0  1  0.88395239  0.25000000  0.13395239  1.0
  Th  Th1  1  0.62499945  0.75000000  0.37499945  1.0
  Th  Th2  1  0.24458941  0.12467231  0.87855263  1.0
  Th  Th3  1  0.75387931  0.37532769  0.61991610  1.0
  Th  Th4  1  0.12813315  0.88058308  0.24889453  1.0
  Th  Th5  1  0.36831145  0.61941692  0.74755008  1.0
  Cu  Cu6  1  0.36875568  0.25000000  0.61875568  1.0
  Cu  Cu7  1  0.12387707  0.75000000  0.87387707  1.0
  Cu  Cu8  1  0.24285796  0.61869648  0.36974195  1.0
  Cu  Cu9  1  0.75104547  0.88130352  0.12416148  1.0
  Cu  Cu10  1  0.62696315  0.37288443  0.25422952  1.0
  Cu  Cu11  1  0.88134609  0.12711557  0.75407872  1.0
  Sn  Sn12  1  0.99982995  0.66660734  0.50011799  1.0
  Sn  Sn13  1  0.83351065  0.83339266  0.83322262  1.0
  Sn  Sn14  1  0.49866260  0.99805684  0.16279429  1.0
  Sn  Sn15  1  0.16473746  0.50194316  0.00060477  1.0
  Sn  Sn16  1  0.99828685  0.16189793  0.50053675  1.0
  Sn  Sn17  1  0.33863882  0.33810207  0.33638891  1.0
  Bi  Bi18  1  0.66768018  0.50027890  0.00022480  1.0
  Bi  Bi19  1  0.49994591  0.99972110  0.66740129  1.0