data_[Zn2Ni4Te6]
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 [P2_1/m]
_cell_length_a [7.4261]
_cell_length_b [4.1248]
_cell_length_c [9.4429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnNi2Te3]
_chemical_formula_sum '[Zn2 Ni4 Te6]'
_cell_volume [270.2970]
_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  0.1296  0.7500  0.2294  1.0
  Ni  Ni1  2  0.0235  0.2500  0.3304  1.0
  Ni  Ni2  2  0.1136  0.2500  0.0644  1.0
  Te  Te3  2  0.1563  0.2500  0.6238  1.0
  Te  Te4  2  0.2306  0.7500  0.9474  1.0
  Te  Te5  2  0.3823  0.2500  0.3272  1.0
]