data_[Ba8Tl4Ni4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [3.5657]
_cell_length_b [15.4532]
_cell_length_c [11.0439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TlNiO5]
_chemical_formula_sum '[Ba8 Tl4 Ni4 O20]'
_cell_volume [608.5339]
_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
[
  Ba  Ba0  4  0.0000  0.1137  0.6824  1.0
  Ba  Ba1  4  0.0000  0.1325  0.3218  1.0
  Tl  Tl2  4  0.0000  0.2065  0.0248  1.0
  Ni  Ni3  4  0.0000  0.4490  0.4393  1.0
  O  O4  4  0.0000  0.0427  0.0105  1.0
  O  O5  4  0.0000  0.2942  0.6604  1.0
  O  O6  4  0.0000  0.3284  0.3866  1.0
  O  O7  4  0.0000  0.3492  0.0053  1.0
  O  O8  4  0.0000  0.4989  0.7929  1.0
]