data_[Tl2Cu2Te4]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6375]
_cell_length_b [6.1344]
_cell_length_c [7.3118]
_cell_angle_alpha [98.6425]
_cell_angle_beta [97.5782]
_cell_angle_gamma [105.2320]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlCuTe2]
_chemical_formula_sum '[Tl2 Cu2 Te4]'
_cell_volume [237.2851]
_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  1  0.3232  0.5693  0.0138  1.0
  Tl  Tl1  1  0.6189  0.1828  0.2464  1.0
  Cu  Cu2  1  0.7258  0.9146  0.5920  1.0
  Cu  Cu3  1  0.9904  0.6509  0.6817  1.0
  Te  Te4  1  0.3390  0.5510  0.5174  1.0
  Te  Te5  1  0.6607  0.2968  0.7394  1.0
  Te  Te6  1  0.9551  0.7704  0.3274  1.0
  Te  Te7  1  0.9975  0.0033  0.9401  1.0
]