data_[Li4Ni8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9423]
_cell_length_b [5.9980]
_cell_length_c [7.4838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li(NiS)2]
_chemical_formula_sum '[Li4 Ni8 S8]'
_cell_volume [276.1663]
_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  0.2592  0.5054  0.0006  1.0
  Ni  Ni1  4  0.0669  0.1417  0.1385  1.0
  Ni  Ni2  4  0.4327  0.6435  0.3631  1.0
  S  S3  4  0.0951  0.7288  0.6874  1.0
  S  S4  4  0.4029  0.2271  0.8098  1.0
]