data_[Ti2Co4Te6]
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 [7.6414]
_cell_length_b [3.8280]
_cell_length_c [10.2234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiCo2Te3]
_chemical_formula_sum '[Ti2 Co4 Te6]'
_cell_volume [282.7978]
_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  0.1885  0.2500  0.7001  1.0
  Co  Co1  2  0.0301  0.2500  0.4273  1.0
  Co  Co2  2  0.4105  0.7500  0.9161  1.0
  Te  Te3  2  0.0552  0.7500  0.8368  1.0
  Te  Te4  2  0.2557  0.7500  0.4973  1.0
  Te  Te5  2  0.4353  0.7500  0.1707  1.0
]