data_[Tl4Ni4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [P2_1/c]
_cell_length_a [6.7130]
_cell_length_b [6.4478]
_cell_length_c [6.5017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlNiSO]
_chemical_formula_sum '[Tl4 Ni4 S4 O4]'
_cell_volume [280.1211]
_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
[
  Tl  Tl0  4  0.0889  0.7440  0.4828  1
  Ni  Ni1  4  0.4996  0.1311  0.8038  1
  S  S2  4  0.2392  0.1069  0.3036  1
  O  O3  4  0.3989  0.6467  0.3726  1
]