data_[Na4Hf2Sc4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2149]
_cell_length_b [12.4685]
_cell_length_c [8.0670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Hf(ScTe3)2]
_chemical_formula_sum '[Na4 Hf2 Sc4 Te12]'
_cell_volume [692.0978]
_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  0.1668  0.0000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3317  0.5000  1.0
  Te  Te3  8  0.2400  0.1635  0.7198  1.0
  Te  Te4  4  0.2420  0.5000  0.7178  1.0
]