data_[Na2Hf2Cu2Te2S4]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6901]
_cell_length_b [3.8072]
_cell_length_c [9.4630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaHfCuTeS2]
_chemical_formula_sum '[Na2 Hf2 Cu2 Te2 S4]'
_cell_volume [261.1671]
_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  2  0.1997  0.7500  0.1758  1
  Hf  Hf1  2  0.1791  0.2500  0.6673  1
  Cu  Cu2  2  0.4090  0.7500  0.9074  1
  Te  Te3  2  0.4484  0.7500  0.6468  1
  S  S4  2  0.0539  0.2500  0.3664  1
  S  S5  2  0.2477  0.2500  0.9465  1
]