data_[Li8Ni8S12O48]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9467]
_cell_length_b [8.5347]
_cell_length_c [8.7466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Ni2(SO4)3]
_chemical_formula_sum '[Li8 Ni8 S12 O48]'
_cell_volume [867.8983]
_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  8  0.2326  0.0943  0.0546  1
  Ni  Ni1  8  0.1220  0.2473  0.5178  1
  S  S2  8  0.1442  0.3945  0.1770  1
  S  S3  4  0.0000  0.0591  0.7500  1
  O  O4  8  0.0214  0.3710  0.1171  1
  O  O5  8  0.0599  0.1571  0.6771  1
  O  O6  8  0.0900  0.0399  0.3853  1
  O  O7  8  0.1751  0.4361  0.6886  1
  O  O8  8  0.1885  0.3119  0.0711  1
  O  O9  8  0.2060  0.3377  0.3618  1
]