data_[Tl2Fe1Cu3Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9842]
_cell_length_b [3.9842]
_cell_length_c [15.8665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tl2FeCu3Te4]
_chemical_formula_sum '[Tl2 Fe1 Cu3 Te4]'
_cell_volume [251.8637]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.2528  1.0
  Fe  Fe1  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu4  1  0.5000  0.5000  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.6080  1.0
  Te  Te6  2  0.0000  0.5000  0.8931  1.0
]