data_[Na4In4Ni4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2114]
_cell_length_b [12.8734]
_cell_length_c [12.2428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaInNiTe3]
_chemical_formula_sum '[Na4 In4 Ni4 Te12]'
_cell_volume [663.7458]
_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  0.2518  0.7500  1
  In  In1  4  0.0000  0.0000  0.0000  1
  Ni  Ni2  4  0.0000  0.4352  0.2500  1
  Te  Te3  8  0.0000  0.3467  0.0648  1
  Te  Te4  4  0.0000  0.0409  0.2500  1
]