data_[Na4Er4Hf2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  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 [7.4392]
_cell_length_b [12.8006]
_cell_length_c [8.0741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Er2HfTe6]
_chemical_formula_sum '[Na4 Er4 Hf2 Te12]'
_cell_volume [730.1552]
_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  0.1709  0.0000  1
  Er  Er1  4  0.0000  0.3321  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.2381  0.1585  0.7260  1
  Te  Te4  4  0.2432  0.0000  0.2765  1
]