data_[K6Tm4Ti2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5807]
_cell_length_b [13.1164]
_cell_length_c [8.6114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tm2TiTe6]
_chemical_formula_sum '[K6 Tm4 Ti2 Te12]'
_cell_volume [818.0532]
_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  4  0.0000  0.1715  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.0000  0.3346  0.0000  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2250  0.1589  0.1997  1.0
  Te  Te5  4  0.2500  0.5000  0.2020  1.0
]