data_[Ni1H2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6891]
_cell_length_b [6.3747]
_cell_length_c [6.4567]
_cell_angle_alpha [70.0124]
_cell_angle_beta [81.3692]
_cell_angle_gamma [85.2728]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni(HS3)2]
_chemical_formula_sum '[Ni1 H2 S6]'
_cell_volume [217.4429]
_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
[
  Ni  Ni0  1  0.0000  0.0000  0.0000  1
  H  H1  2  0.0155  0.0440  0.5221  1
  S  S2  2  0.1815  0.3137  0.8150  1
  S  S3  2  0.3297  0.8051  0.9671  1
  S  S4  2  0.4717  0.7908  0.2391  1
]