data_[Ti4Te12Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9897]
_cell_length_b [6.8731]
_cell_length_c [11.3385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ti2Te6Ru]
_chemical_formula_sum '[Ti4 Te12 Ru2]'
_cell_volume [440.1277]
_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
[
  Ti  Ti0  4  0.2812  0.6593  0.2536  1
  Te  Te1  4  0.0765  0.0031  0.2407  1
  Te  Te2  4  0.2328  0.1623  0.5737  1
  Te  Te3  4  0.4112  0.6657  0.5800  1
  Ru  Ru4  2  0.5000  0.0000  0.5000  1
]