data_[Na6Tm4Ti2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.4408]
_cell_length_b [12.8993]
_cell_length_c [7.9950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Tm2TiTe6]
_chemical_formula_sum '[Na6 Tm4 Ti2 Te12]'
_cell_volume [729.2458]
_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
[
  Na  Na0  4  0.0000  0.1723  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.0000  0.3338  0.0000  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2328  0.1586  0.2229  1.0
  Te  Te5  4  0.2412  0.0000  0.7769  1.0
]