# generated using pymatgen
data_TmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.98064731
_cell_length_b   10.98058140
_cell_length_c   3.93970207
_cell_angle_alpha   89.99999959
_cell_angle_beta   90.00000035
_cell_angle_gamma   120.00065566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmI3
_chemical_formula_sum   'Tm2 I6'
_cell_volume   411.38118174
_cell_formula_units_Z   2
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  0.33332965  0.66666715  0.74999700  1.0
  Tm  Tm1  1  0.66667415  0.33333363  0.25000185  1.0
  I  I2  1  0.21323371  0.42647090  0.24999761  1.0
  I  I3  1  0.57352868  0.78676799  0.24999760  1.0
  I  I4  1  0.21324578  0.78675480  0.24999760  1.0
  I  I5  1  0.78675816  0.57351939  0.74999878  1.0
  I  I6  1  0.42648085  0.21324225  0.74999878  1.0
  I  I7  1  0.78675203  0.21324389  0.74999878  1.0