data_[Zn4Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.4501]
_cell_length_b [3.7626]
_cell_length_c [13.6267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Zn2CuTe3]
_chemical_formula_sum '[Zn4 Cu2 Te6]'
_cell_volume [997.2422]
_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
[
  Zn  Zn0  4  0.4297  0.1902  0.7323  1
  Cu  Cu1  2  0.5000  0.0000  0.9046  1
  Te  Te2  4  0.3856  0.6942  0.8492  1
  Te  Te3  2  0.5000  0.0000  0.5777  1
]