data_[Li6Hf2Np4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Np  1.3600  1.7500  1.0000
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3749]
_cell_length_b [12.7804]
_cell_length_c [7.4924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Hf(NpTe3)2]
_chemical_formula_sum '[Li6 Hf2 Np4 Te12]'
_cell_volume [666.8896]
_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
[
  Li  Li0  4  0.0000  0.1681  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.0000  1
  Np  Np3  4  0.0000  0.3330  0.0000  1
  Te  Te4  8  0.2434  0.1578  0.2561  1
  Te  Te5  4  0.2311  0.0000  0.7465  1
]