# generated using pymatgen
data_Th(Co2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95750957
_cell_length_b   5.95750933
_cell_length_c   5.95750960
_cell_angle_alpha   104.22788043
_cell_angle_beta   104.22787742
_cell_angle_gamma   104.22788911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(Co2B)6
_chemical_formula_sum   'Th1 Co12 B6'
_cell_volume   187.82607478
_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  0.00000000  0.00000000  0.00000000  1.0
  Co  Co1  1  0.50000000  0.86575981  0.13424019  1.0
  Co  Co2  1  0.86575981  0.50000000  0.13424019  1.0
  Co  Co3  1  0.50000000  0.13424019  0.86575981  1.0
  Co  Co4  1  0.45854840  0.18540881  0.45854840  1.0
  Co  Co5  1  0.81459119  0.54145160  0.54145160  1.0
  Co  Co6  1  0.18540881  0.45854840  0.45854840  1.0
  Co  Co7  1  0.54145160  0.54145160  0.81459119  1.0
  Co  Co8  1  0.13424019  0.86575981  0.50000000  1.0
  Co  Co9  1  0.86575981  0.13424019  0.50000000  1.0
  Co  Co10  1  0.54145160  0.81459119  0.54145160  1.0
  Co  Co11  1  0.13424019  0.50000000  0.86575981  1.0
  Co  Co12  1  0.45854840  0.45854840  0.18540881  1.0
  B  B13  1  0.67170985  0.22938058  0.22938058  1.0
  B  B14  1  0.22938058  0.22938058  0.67170985  1.0
  B  B15  1  0.22938058  0.67170985  0.22938058  1.0
  B  B16  1  0.77061942  0.77061942  0.32829015  1.0
  B  B17  1  0.77061942  0.32829015  0.77061942  1.0
  B  B18  1  0.32829015  0.77061942  0.77061942  1.0