data_[Li4Np8Sc4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2938]
_cell_length_b [18.3717]
_cell_length_c [12.8734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNp2ScTe5]
_chemical_formula_sum '[Li4 Np8 Sc4 Te20]'
_cell_volume [1015.5072]
_cell_formula_units_Z [4]
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  0.4345  0.4585  1
  Np  Np1  4  0.0000  0.1091  0.6841  1
  Np  Np2  4  0.0000  0.1263  0.3041  1
  Sc  Sc3  4  0.0000  0.1953  0.0125  1
  Te  Te4  4  0.0000  0.0475  0.0694  1
  Te  Te5  4  0.0000  0.2851  0.6663  1
  Te  Te6  4  0.0000  0.3066  0.3493  1
  Te  Te7  4  0.0000  0.3566  0.0004  1
  Te  Te8  4  0.0000  0.4984  0.7795  1
]