data_[Tm4Ti2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [15.3167]
_cell_length_b [4.1977]
_cell_length_c [7.4672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2TiTe4]
_chemical_formula_sum '[Tm4 Ti2 Te8]'
_cell_volume [420.5729]
_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  4  0.2440  0.5000  0.7275  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.1106  0.0000  0.4360  1.0
  Te  Te3  4  0.1211  0.5000  0.9584  1.0
]