data_[Na4V4Ni4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7841]
_cell_length_b [14.9861]
_cell_length_c [10.1590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaVNiTe3]
_chemical_formula_sum '[Na4 V4 Ni4 Te12]'
_cell_volume [576.1053]
_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  0.2602  0.7500  1
  V  V1  4  0.0000  0.5000  0.0000  1
  Ni  Ni2  4  0.0000  0.0294  0.2500  1
  Te  Te3  8  0.0000  0.1276  0.0526  1
  Te  Te4  4  0.0000  0.4192  0.2500  1
]