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 [Pm]
_cell_length_a [7.5057]
_cell_length_b [4.1645]
_cell_length_c [7.5263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnCuTe2]
_chemical_formula_sum '[Zn2 Cu2 Te4]'
_cell_volume [213.4524]
_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  1  0.8119  0.5000  0.4070  1.0
  Zn  Zn1  1  0.8176  0.0000  0.9077  1.0
  Cu  Cu2  1  0.3417  0.5000  0.9342  1.0
  Cu  Cu3  1  0.5519  0.0000  0.1704  1.0
  Te  Te4  1  0.4250  0.5000  0.3016  1.0
  Te  Te5  1  0.4296  0.0000  0.7834  1.0
  Te  Te6  1  0.9575  0.5000  0.7947  1.0
  Te  Te7  1  0.9593  0.0000  0.2986  1.0
]