data_[Ti6Co2Te2]
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 [P2_1/m]
_cell_length_a [7.0433]
_cell_length_b [3.7221]
_cell_length_c [7.1885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti3CoTe]
_chemical_formula_sum '[Ti6 Co2 Te2]'
_cell_volume [172.0940]
_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  2  0.1739  0.2500  0.0839  1
  Ti  Ti1  2  0.1794  0.7500  0.4068  1
  Ti  Ti2  2  0.4782  0.2500  0.7906  1
  Co  Co3  2  0.4144  0.2500  0.4061  1
  Te  Te4  2  0.1731  0.7500  0.7996  1
]