data_[Zn4Fe2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1425]
_cell_length_b [3.1978]
_cell_length_c [6.1173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn2FeTe]
_chemical_formula_sum '[Zn4 Fe2 Te2]'
_cell_volume [157.4163]
_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  0.2100  0.0000  0.2640  1
  Zn  Zn1  2  0.4121  0.5000  0.1175  1
  Fe  Fe2  2  0.0249  0.5000  0.4485  1
  Te  Te3  2  0.3530  0.5000  0.6701  1
]