data_[Li4Zr4Np2S12]
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 [C2/m]
_cell_length_a [6.4790]
_cell_length_b [11.3051]
_cell_length_c [6.5746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Zr2NpS6]
_chemical_formula_sum '[Li4 Zr4 Np2 S12]'
_cell_volume [454.4045]
_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  0.1678  0.0000  1
  Zr  Zr1  4  0.0000  0.3349  0.5000  1
  Np  Np2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2480  0.6746  0.2556  1
  S  S4  4  0.2386  0.5000  0.7468  1
]