# generated using pymatgen
data_Tm9Mg(Sn3Se)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91603089
_cell_length_b   8.91603051
_cell_length_c   6.56961297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm9Mg(Sn3Se)2
_chemical_formula_sum   'Tm9 Mg1 Sn6 Se2'
_cell_volume   452.28639189
_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  0.33333300  0.66666700  0.00000000  1.0
  Tm  Tm1  1  0.33333300  0.66666700  0.50000000  1.0
  Tm  Tm2  1  0.66666700  0.33333300  0.50000000  1.0
  Tm  Tm3  1  0.74648570  0.74512267  0.75262529  1.0
  Tm  Tm4  1  0.25487733  0.00136303  0.75262529  1.0
  Tm  Tm5  1  0.99863697  0.25351430  0.75262529  1.0
  Tm  Tm6  1  0.25487733  0.25351430  0.24737471  1.0
  Tm  Tm7  1  0.74648570  0.00136303  0.24737471  1.0
  Tm  Tm8  1  0.99863697  0.74512267  0.24737471  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.00000000  1.0
  Sn  Sn10  1  0.39670451  0.39700326  0.75177524  1.0
  Sn  Sn11  1  0.60299674  0.99970124  0.75177524  1.0
  Sn  Sn12  1  0.00029876  0.60329549  0.75177524  1.0
  Sn  Sn13  1  0.60299674  0.60329549  0.24822476  1.0
  Sn  Sn14  1  0.39670451  0.99970124  0.24822476  1.0
  Sn  Sn15  1  0.00029876  0.39700326  0.24822476  1.0
  Se  Se16  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se17  1  0.00000000  0.00000000  0.50000000  1.0