data_[Sr8Tl4Ni4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4582]
_cell_length_b [14.5188]
_cell_length_c [10.5013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TlNiO5]
_chemical_formula_sum '[Sr8 Tl4 Ni4 O20]'
_cell_volume [527.2612]
_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
[
  Sr  Sr0  4  0.0000  0.1077  0.6792  1.0
  Sr  Sr1  4  0.0000  0.1361  0.3211  1.0
  Tl  Tl2  4  0.0000  0.2086  0.0249  1.0
  Ni  Ni3  4  0.0000  0.4604  0.4414  1.0
  O  O4  4  0.0000  0.0371  0.0190  1.0
  O  O5  4  0.0000  0.2874  0.6708  1.0
  O  O6  4  0.0000  0.3300  0.3830  1.0
  O  O7  4  0.0000  0.3615  0.0029  1.0
  O  O8  4  0.0000  0.4931  0.7817  1.0
]