data_[La1Ni1S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P-3m1]
_cell_length_a [5.0574]
_cell_length_b [5.0574]
_cell_length_c [7.1203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LaNi(SO4)2]
_chemical_formula_sum '[La1 Ni1 S2 O8]'
_cell_volume [157.7183]
_cell_formula_units_Z [1]
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
[
  La  La0  1  0.0000  0.0000  0.5000  1
  Ni  Ni1  1  0.0000  0.0000  0.0000  1
  S  S2  2  0.3333  0.6667  0.8848  1
  O  O3  6  0.1724  0.3448  0.8001  1
  O  O4  2  0.3333  0.6667  0.4687  1
]