# generated using pymatgen
data_TmNb9Se16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01583655
_cell_length_b   7.01583711
_cell_length_c   13.63951839
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999736
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNb9Se16
_chemical_formula_sum   'Tm1 Nb9 Se16'
_cell_volume   581.41822205
_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  0.00000000  0.00000000  0.24209873  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.75790127  1.0
  Nb  Nb3  1  0.50732754  0.01465508  0.24144500  1.0
  Nb  Nb4  1  0.98534492  0.49267246  0.24144500  1.0
  Nb  Nb5  1  0.50732754  0.49267246  0.24144500  1.0
  Nb  Nb6  1  0.49267246  0.98534492  0.75855500  1.0
  Nb  Nb7  1  0.01465508  0.50732754  0.75855500  1.0
  Nb  Nb8  1  0.49267246  0.50732754  0.75855500  1.0
  Nb  Nb9  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se10  1  0.33333300  0.66666700  0.88385629  1.0
  Se  Se11  1  0.66666700  0.33333300  0.11614371  1.0
  Se  Se12  1  0.66666700  0.33333300  0.36738924  1.0
  Se  Se13  1  0.33333300  0.66666700  0.63261076  1.0
  Se  Se14  1  0.16946335  0.83053665  0.36329283  1.0
  Se  Se15  1  0.16946335  0.33892771  0.36329283  1.0
  Se  Se16  1  0.66107229  0.83053665  0.36329283  1.0
  Se  Se17  1  0.83053665  0.16946335  0.63670717  1.0
  Se  Se18  1  0.83053665  0.66107229  0.63670717  1.0
  Se  Se19  1  0.33892771  0.16946335  0.63670717  1.0
  Se  Se20  1  0.83179620  0.16820380  0.87882149  1.0
  Se  Se21  1  0.83179620  0.66359240  0.87882149  1.0
  Se  Se22  1  0.33640760  0.16820380  0.87882149  1.0
  Se  Se23  1  0.16820380  0.83179620  0.12117851  1.0
  Se  Se24  1  0.16820380  0.33640760  0.12117851  1.0
  Se  Se25  1  0.66359240  0.83179620  0.12117851  1.0