data_[Zn2Cu2Te4]
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 [P2_1/m]
_cell_length_a [7.1752]
_cell_length_b [4.1923]
_cell_length_c [7.3694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnCuTe2]
_chemical_formula_sum '[Zn2 Cu2 Te4]'
_cell_volume [210.6663]
_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  2  0.3620  0.2500  0.8720  1.0
  Cu  Cu1  2  0.1121  0.2500  0.1007  1.0
  Te  Te2  2  0.0274  0.7500  0.2724  1.0
  Te  Te3  2  0.4983  0.2500  0.2669  1.0
]