data_[Tl2Cr2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  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 [8.6114]
_cell_length_b [3.9793]
_cell_length_c [10.5277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCrCuTe3]
_chemical_formula_sum '[Tl2 Cr2 Cu2 Te6]'
_cell_volume [329.6842]
_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  0.0265  0.2500  0.2854  1.0
  Cr  Cr1  2  0.4744  0.2500  0.1628  1.0
  Cu  Cu2  2  0.4817  0.7500  0.4062  1.0
  Te  Te3  2  0.2514  0.7500  0.1530  1.0
  Te  Te4  2  0.3066  0.7500  0.5621  1.0
  Te  Te5  2  0.3298  0.2500  0.8772  1.0
]