data_[Ti2Tl2Cu2Te4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5344]
_cell_length_b [3.8794]
_cell_length_c [10.1994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiTlCuTe2Se]
_chemical_formula_sum '[Ti2 Tl2 Cu2 Te4 Se2]'
_cell_volume [309.9497]
_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  0.3147  0.7500  0.3445  1
  Tl  Tl1  2  0.2802  0.2500  0.7794  1
  Cu  Cu2  2  0.0773  0.2500  0.1036  1
  Te  Te3  2  0.0860  0.2500  0.3598  1
  Te  Te4  2  0.2581  0.7500  0.0598  1
  Se  Se5  2  0.4646  0.7500  0.6223  1
]