data_[Li4Nb4Ni4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmcm]
_cell_length_a [3.6480]
_cell_length_b [14.2563]
_cell_length_c [10.2304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiNbNiTe3]
_chemical_formula_sum '[Li4 Nb4 Ni4 Te12]'
_cell_volume [532.0572]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.2735  0.7500  1
  Nb  Nb1  4  0.0000  0.5000  0.0000  1
  Ni  Ni2  4  0.0000  0.0296  0.2500  1
  Te  Te3  8  0.0000  0.1427  0.0629  1
  Te  Te4  4  0.0000  0.4063  0.2500  1
]