# generated using pymatgen
data_Th5SnBi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59089974
_cell_length_b   9.60463063
_cell_length_c   6.69543709
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95271665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5SnBi2As
_chemical_formula_sum   'Th10 Sn2 Bi4 As2'
_cell_volume   534.38752415
_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  0.00003057  0.74268009  0.75000000  1.0
  Th  Th1  1  0.25735048  0.25731991  0.75000000  1.0
  Th  Th2  1  0.33121938  0.66388511  0.49702634  1.0
  Th  Th3  1  0.66733528  0.33611489  0.49702634  1.0
  Th  Th4  1  0.74429931  0.74015832  0.25000000  1.0
  Th  Th5  1  0.74398511  1.00000000  0.75000000  1.0
  Th  Th6  1  0.00414099  0.25984168  0.25000000  1.0
  Th  Th7  1  0.25454486  0.00000000  0.25000000  1.0
  Th  Th8  1  0.33121938  0.66388511  0.00297366  1.0
  Th  Th9  1  0.66733528  0.33611489  0.00297366  1.0
  Sn  Sn10  1  0.39062056  0.39017155  0.25000000  1.0
  Sn  Sn11  1  0.00044902  0.60982845  0.25000000  1.0
  Bi  Bi12  1  0.60803717  0.60823180  0.75000000  1.0
  Bi  Bi13  1  0.99980537  0.39176820  0.75000000  1.0
  Bi  Bi14  1  0.39145753  1.00000000  0.75000000  1.0
  Bi  Bi15  1  0.61005907  0.00000000  0.25000000  1.0
  As  As16  1  0.99905633  0.00000000  0.99921860  1.0
  As  As17  1  0.99905633  0.00000000  0.50078140  1.0