# generated using pymatgen
data_ThSc4(Sn3Os)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73774854
_cell_length_b   9.73774800
_cell_length_c   9.73774920
_cell_angle_alpha   59.99999928
_cell_angle_beta   60.00000109
_cell_angle_gamma   60.00000085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSc4(Sn3Os)6
_chemical_formula_sum   'Th1 Sc4 Sn18 Os6'
_cell_volume   652.92106131
_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
  Sc  Sc1  1  0.37263632  0.37263732  0.88209203  1.0
  Sc  Sc2  1  0.37263732  0.88209103  0.37263632  1.0
  Sc  Sc3  1  0.88209103  0.37263732  0.37263632  1.0
  Sc  Sc4  1  0.37263732  0.37263632  0.37263632  1.0
  Sn  Sn5  1  0.58471523  0.58471523  0.24585630  1.0
  Sn  Sn6  1  0.58471523  0.24585630  0.58471523  1.0
  Sn  Sn7  1  0.24585630  0.58471523  0.58471523  1.0
  Sn  Sn8  1  0.58471523  0.58471523  0.58471523  1.0
  Sn  Sn9  1  0.75000000  0.75000000  0.75000000  1.0
  Sn  Sn10  1  0.99543663  0.35823593  0.65089281  1.0
  Sn  Sn11  1  0.99543663  0.99543663  0.65089281  1.0
  Sn  Sn12  1  0.35823593  0.99543663  0.65089281  1.0
  Sn  Sn13  1  0.99543663  0.65089281  0.35823593  1.0
  Sn  Sn14  1  0.35823593  0.65089281  0.99543663  1.0
  Sn  Sn15  1  0.99543663  0.65089281  0.99543663  1.0
  Sn  Sn16  1  0.65089281  0.99543663  0.99543663  1.0
  Sn  Sn17  1  0.65089281  0.35823593  0.99543663  1.0
  Sn  Sn18  1  0.65089281  0.99543663  0.35823593  1.0
  Sn  Sn19  1  0.35823593  0.99543663  0.99543663  1.0
  Sn  Sn20  1  0.99543663  0.99543663  0.35823593  1.0
  Sn  Sn21  1  0.99543663  0.35823593  0.99543663  1.0
  Sn  Sn22  1  0.25000000  0.25000000  0.25000000  1.0
  Os  Os23  1  0.25398290  0.25398290  0.74601710  1.0
  Os  Os24  1  0.74601710  0.25398290  0.74601710  1.0
  Os  Os25  1  0.25398290  0.74601710  0.74601710  1.0
  Os  Os26  1  0.74601710  0.74601710  0.25398290  1.0
  Os  Os27  1  0.25398290  0.74601710  0.25398290  1.0
  Os  Os28  1  0.74601710  0.25398290  0.25398290  1.0