data_[Ba4Tl2Cu2Hg2O10]
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
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9105]
_cell_length_b [3.9105]
_cell_length_c [24.0548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ba2TlCuHgO5]
_chemical_formula_sum '[Ba4 Tl2 Cu2 Hg2 O10]'
_cell_volume [367.8540]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.4191  1.0
  Ba  Ba1  2  0.0000  0.0000  0.5849  1.0
  Tl  Tl2  2  0.0000  0.0000  0.2008  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0060  1.0
  Hg  Hg4  2  0.0000  0.0000  0.7954  1.0
  O  O5  4  0.0000  0.5000  0.4983  1.0
  O  O6  2  0.0000  0.0000  0.1086  1.0
  O  O7  2  0.0000  0.0000  0.7106  1.0
  O  O8  2  0.0000  0.0000  0.8789  1.0
]