data_[Li4Zr4Np8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7960]
_cell_length_b [16.0554]
_cell_length_c [11.5473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiZrNp2S5]
_chemical_formula_sum '[Li4 Zr4 Np8 S20]'
_cell_volume [703.7676]
_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  0.4585  0.4615  1
  Zr  Zr1  4  0.0000  0.2031  0.0107  1
  Np  Np2  4  0.0000  0.1054  0.6834  1
  Np  Np3  4  0.0000  0.1300  0.3041  1
  S  S4  4  0.0000  0.0546  0.0690  1
  S  S5  4  0.0000  0.2817  0.6673  1
  S  S6  4  0.0000  0.3116  0.3542  1
  S  S7  4  0.0000  0.3655  0.9993  1
  S  S8  4  0.0000  0.4952  0.7744  1
]