data_[Zr2Zn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.4281]
_cell_length_b [18.8839]
_cell_length_c [12.3721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ZrZnTe3]
_chemical_formula_sum '[Zr2 Zn2 Te6]'
_cell_volume [1034.5442]
_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
[
  Zr  Zr0  2  0.2500  0.0000  0.5999  1
  Zn  Zn1  2  0.2500  0.0000  0.2281  1
  Te  Te2  4  0.2500  0.1028  0.3854  1
  Te  Te3  2  0.2500  0.0000  0.8756  1
]