data_[Ti2In2Co2Te6]
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
  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 [8.6333]
_cell_length_b [3.7800]
_cell_length_c [10.5478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiInCoTe3]
_chemical_formula_sum '[Ti2 In2 Co2 Te6]'
_cell_volume [316.4666]
_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  0.4651  0.7500  0.1855  1.0
  In  In1  2  0.0167  0.2500  0.7118  1.0
  Co  Co2  2  0.4802  0.2500  0.4010  1.0
  Te  Te3  2  0.2281  0.2500  0.1675  1.0
  Te  Te4  2  0.3052  0.2500  0.5497  1.0
  Te  Te5  2  0.3328  0.7500  0.8871  1.0
]