data_[K2Nd2Ni2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  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 [9.7503]
_cell_length_b [4.3532]
_cell_length_c [10.2140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNdNiTe3]
_chemical_formula_sum '[K2 Nd2 Ni2 Te6]'
_cell_volume [411.1967]
_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  0.2134  0.2500  0.2530  1
  Nd  Nd1  2  0.3195  0.7500  0.8589  1
  Ni  Ni2  2  0.0965  0.2500  0.6150  1
  Te  Te3  2  0.0874  0.2500  0.8610  1
  Te  Te4  2  0.1681  0.7500  0.5269  1
  Te  Te5  2  0.4607  0.7500  0.1810  1
]