data_[Li2Ti2Ni2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  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 [7.9551]
_cell_length_b [3.7866]
_cell_length_c [9.6474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTiNiTe3]
_chemical_formula_sum '[Li2 Ti2 Ni2 Te6]'
_cell_volume [277.2271]
_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
[
  Li  Li0  2  0.2305  0.2500  0.2764  1.0
  Ti  Ti1  2  0.2994  0.7500  0.8145  1.0
  Ni  Ni2  2  0.0851  0.2500  0.5950  1.0
  Te  Te3  2  0.0700  0.2500  0.8535  1.0
  Te  Te4  2  0.2565  0.7500  0.5261  1.0
  Te  Te5  2  0.4248  0.7500  0.1346  1.0
]