data_[Zn1Ni2Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2421]
_cell_length_b [4.2421]
_cell_length_c [20.4587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [ZnNi2Te3]
_chemical_formula_sum '[Zn1 Ni2 Te3]'
_cell_volume [368.1561]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.5000  1
  Ni  Ni1  2  0.0000  0.5000  0.5707  1
  Te  Te2  2  0.0000  0.0000  0.3666  1
  Te  Te3  1  0.5000  0.5000  0.5000  1
]