data_[K2Nb2Ni2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  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 [9.2764]
_cell_length_b [3.8293]
_cell_length_c [10.5144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNbNiTe3]
_chemical_formula_sum '[K2 Nb2 Ni2 Te6]'
_cell_volume [341.7593]
_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  0.0017  0.7500  0.2826  1.0
  Nb  Nb1  2  0.4714  0.7500  0.1873  1.0
  Ni  Ni2  2  0.4838  0.2500  0.3973  1.0
  Te  Te3  2  0.2444  0.2500  0.1645  1.0
  Te  Te4  2  0.3142  0.2500  0.5451  1.0
  Te  Te5  2  0.3352  0.7500  0.8825  1.0
]