data_[Na4Nd2Hf4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2792]
_cell_length_b [12.7193]
_cell_length_c [8.0594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Nd(HfTe3)2]
_chemical_formula_sum '[Na4 Nd2 Hf4 Te12]'
_cell_volume [714.4947]
_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
[
  Na  Na0  4  0.0000  0.1561  0.0000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Hf  Hf2  4  0.0000  0.3325  0.5000  1.0
  Te  Te3  8  0.2495  0.3219  0.2734  1.0
  Te  Te4  4  0.2107  0.5000  0.7256  1.0
]