data_[Na4Ti4Ni4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Cmcm]
_cell_length_a [3.8063]
_cell_length_b [15.3775]
_cell_length_c [10.2279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaTiNiTe3]
_chemical_formula_sum '[Na4 Ti4 Ni4 Te12]'
_cell_volume [598.6554]
_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
[
  Na  Na0  4  0.0000  0.2430  0.2500  1.0
  Ti  Ti1  4  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  4  0.0000  0.4782  0.7500  1.0
  Te  Te3  8  0.0000  0.3743  0.5619  1.0
  Te  Te4  4  0.0000  0.0837  0.7500  1.0
]