# generated using pymatgen
data_ThNb6Sn5Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81890818
_cell_length_b   5.81890970
_cell_length_c   9.60014828
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNb6Sn5Sb
_chemical_formula_sum   'Th1 Nb6 Sn5 Sb1'
_cell_volume   281.50861034
_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  0.99776349  1.0
  Nb  Nb1  1  0.00000000  0.50000000  0.75086796  1.0
  Nb  Nb2  1  0.50000000  0.50000000  0.75086796  1.0
  Nb  Nb3  1  0.50000000  0.00000000  0.75086796  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.25026980  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.25026980  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.25026980  1.0
  Sn  Sn7  1  0.66666700  0.33333300  0.49998435  1.0
  Sn  Sn8  1  0.33333300  0.66666700  0.49998435  1.0
  Sn  Sn9  1  0.66666700  0.33333300  0.00090311  1.0
  Sn  Sn10  1  0.33333300  0.66666700  0.00090311  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.33822127  1.0
  Sb  Sb12  1  0.00000000  0.00000000  0.65882403  1.0