data_[Li2Np2Pd2S6]
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
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4041]
_cell_length_b [3.7046]
_cell_length_c [8.3904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNpPdS3]
_chemical_formula_sum '[Li2 Np2 Pd2 S6]'
_cell_volume [222.7947]
_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  2  0.3453  0.2500  0.8462  1
  Np  Np1  2  0.1943  0.7500  0.2383  1
  Pd  Pd2  2  0.1250  0.7500  0.5969  1
  S  S3  2  0.0760  0.7500  0.8711  1
  S  S4  2  0.2701  0.2500  0.4963  1
  S  S5  2  0.4120  0.2500  0.1535  1
]