data_[Tl2Cu4Te2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.8991]
_cell_length_b [3.9807]
_cell_length_c [8.0866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCu2TeSe]
_chemical_formula_sum '[Tl2 Cu4 Te2 Se2]'
_cell_volume [246.4087]
_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
[
  Tl  Tl0  2  0.2589  0.2500  0.9263  1.0
  Cu  Cu1  2  0.1271  0.7500  0.5032  1.0
  Cu  Cu2  2  0.3758  0.2500  0.5074  1.0
  Te  Te3  2  0.0744  0.2500  0.2821  1.0
  Se  Se4  2  0.4287  0.7500  0.6898  1.0
]