data_[K2Ni4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.6940]
_cell_length_b [7.6940]
_cell_length_c [6.8758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [KNi2Te3]
_chemical_formula_sum '[K2 Ni4 Te6]'
_cell_volume [352.5045]
_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
[
  K  K0  2  0.3333  0.6667  0.3648  1.0
  Ni  Ni1  3  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  Te  Te3  6  0.1721  0.3441  0.8196  1.0
]