data_[Ti4Co2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9740]
_cell_length_b [3.8401]
_cell_length_c [6.5783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2CoTe4]
_chemical_formula_sum '[Ti4 Co2 Te8]'
_cell_volume [313.8873]
_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  0.2494  0.5000  0.7338  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.1094  0.0000  0.4488  1
  Te  Te3  4  0.1177  0.5000  0.9538  1
]