data_[Ti2Fe2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8439]
_cell_length_b [3.7106]
_cell_length_c [9.9266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiFeTe3]
_chemical_formula_sum '[Ti2 Fe2 Te6]'
_cell_volume [269.7951]
_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  0.0185  0.2500  0.6661  1.0
  Fe  Fe1  2  0.0123  0.7500  0.9124  1.0
  Te  Te2  2  0.2326  0.7500  0.1800  1.0
  Te  Te3  2  0.2372  0.2500  0.5014  1.0
  Te  Te4  2  0.2769  0.7500  0.8249  1.0
]