data_[Ti2In2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5574]
_cell_length_b [3.9821]
_cell_length_c [10.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiInCuTe3]
_chemical_formula_sum '[Ti2 In2 Cu2 Te6]'
_cell_volume [323.6582]
_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  0.2881  0.2500  0.8217  1.0
  In  In1  2  0.2720  0.7500  0.2725  1.0
  Cu  Cu2  2  0.0796  0.7500  0.5986  1.0
  Te  Te3  2  0.0767  0.7500  0.8512  1.0
  Te  Te4  2  0.2529  0.2500  0.5498  1.0
  Te  Te5  2  0.4567  0.2500  0.1232  1.0
]