# generated using pymatgen
data_Th6BCl15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57054890
_cell_length_b   9.57054835
_cell_length_c   9.57054863
_cell_angle_alpha   109.47121711
_cell_angle_beta   109.47121595
_cell_angle_gamma   109.47122356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6BCl15
_chemical_formula_sum   'Th6 B1 Cl15'
_cell_volume   674.82107931
_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  0.24307888  1.00000000  0.24307888  1.0
  Th  Th1  1  0.24307888  0.24307888  1.00000000  1.0
  Th  Th2  1  0.75692112  0.00000000  0.75692112  1.0
  Th  Th3  1  1.00000000  0.24307888  0.24307888  1.0
  Th  Th4  1  0.00000000  0.75692112  0.75692112  1.0
  Th  Th5  1  0.75692112  0.75692112  0.00000000  1.0
  B  B6  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl7  1  1.00000000  0.74868943  0.25131057  1.0
  Cl  Cl8  1  0.25131057  0.74868943  1.00000000  1.0
  Cl  Cl9  1  0.49737786  0.74868943  0.74868943  1.0
  Cl  Cl10  1  0.00000000  0.25131057  0.74868943  1.0
  Cl  Cl11  1  0.74868943  1.00000000  0.25131057  1.0
  Cl  Cl12  1  0.25131057  0.50262214  0.25131057  1.0
  Cl  Cl13  1  0.74868943  0.25131057  0.00000000  1.0
  Cl  Cl14  1  0.50000000  0.50000000  0.00000000  1.0
  Cl  Cl15  1  0.25131057  0.25131057  0.50262214  1.0
  Cl  Cl16  1  0.74868943  0.49737786  0.74868943  1.0
  Cl  Cl17  1  0.74868943  0.74868943  0.49737786  1.0
  Cl  Cl18  1  0.50262214  0.25131057  0.25131057  1.0
  Cl  Cl19  1  0.25131057  0.00000000  0.74868943  1.0
  Cl  Cl20  1  0.00000000  0.50000000  0.50000000  1.0
  Cl  Cl21  1  0.50000000  0.00000000  0.50000000  1.0