# generated using pymatgen
data_TmNb6SnSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09183655
_cell_length_b   6.09183565
_cell_length_c   14.54457646
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNb6SnSe12
_chemical_formula_sum   'Tm1 Nb6 Sn1 Se12'
_cell_volume   467.44238137
_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
  Tm  Tm0  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb1  1  0.33333300  0.66666700  0.25796950  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.74203050  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.25796950  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.74203050  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.25873900  1.0
  Nb  Nb6  1  0.00000000  0.00000000  0.74126100  1.0
  Sn  Sn7  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se8  1  0.33612543  1.00000000  0.14434480  1.0
  Se  Se9  1  1.00000000  0.33612543  0.14434480  1.0
  Se  Se10  1  0.66387457  0.66387457  0.14434480  1.0
  Se  Se11  1  0.33927812  0.33927812  0.62710427  1.0
  Se  Se12  1  0.66072188  0.66072188  0.37289573  1.0
  Se  Se13  1  0.66072188  0.00000000  0.62710427  1.0
  Se  Se14  1  0.00000000  0.66072188  0.62710427  1.0
  Se  Se15  1  0.00000000  0.66387457  0.85565520  1.0
  Se  Se16  1  0.33612543  0.33612543  0.85565520  1.0
  Se  Se17  1  1.00000000  0.33927812  0.37289573  1.0
  Se  Se18  1  0.33927812  1.00000000  0.37289573  1.0
  Se  Se19  1  0.66387457  0.00000000  0.85565520  1.0