# generated using pymatgen
data_ThTa3(NbSn2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79392750
_cell_length_b   5.80175013
_cell_length_c   9.60412969
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99627123
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTa3(NbSn2)3
_chemical_formula_sum   'Th1 Ta3 Nb3 Sn6'
_cell_volume   279.59991894
_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  0.99929481  1.0
  Ta  Ta1  1  0.00000000  0.50000000  0.75170636  1.0
  Ta  Ta2  1  0.50000000  0.50000000  0.75155738  1.0
  Ta  Ta3  1  0.00000000  0.50000000  0.24871487  1.0
  Nb  Nb4  1  0.50000000  0.00000000  0.75167129  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.24864092  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.24878607  1.0
  Sn  Sn7  1  0.66857185  0.33517484  0.50039071  1.0
  Sn  Sn8  1  0.33142815  0.66482516  0.50039071  1.0
  Sn  Sn9  1  0.66715338  0.33382368  0.99989182  1.0
  Sn  Sn10  1  0.33284662  0.66617632  0.99989182  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.65533181  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.34373043  1.0