# generated using pymatgen
data_KTmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11373546
_cell_length_b   8.11373546
_cell_length_c   11.53898700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   149.37957555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTmI3
_chemical_formula_sum   'K2 Tm2 I6'
_cell_volume   386.92265638
_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
  K  K0  1  0.75106100  0.24893900  0.75000000  1.0
  K  K1  1  0.24893900  0.75106100  0.25000000  1.0
  Tm  Tm2  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm3  1  0.00000000  0.00000000  0.50000000  1.0
  I  I4  1  0.63374500  0.36625500  0.44604400  1.0
  I  I5  1  0.63374500  0.36625500  0.05395600  1.0
  I  I6  1  0.36625500  0.63374500  0.55395600  1.0
  I  I7  1  0.36625500  0.63374500  0.94604400  1.0
  I  I8  1  0.06648800  0.93351200  0.75000000  1.0
  I  I9  1  0.93351200  0.06648800  0.25000000  1.0