data_[Zr4Tl4Cu4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4027]
_cell_length_b [3.3086]
_cell_length_c [8.6864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ZrTlCuO3]
_chemical_formula_sum '[Zr4 Tl4 Cu4 O12]'
_cell_volume [385.1945]
_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
[
  Zr  Zr0  4  0.0125  0.2500  0.3290  1
  Tl  Tl1  4  0.2429  0.2500  0.5716  1
  Cu  Cu2  4  0.0810  0.2500  0.9678  1
  O  O3  4  0.0749  0.2500  0.7572  1
  O  O4  4  0.0750  0.7500  0.4535  1
  O  O5  4  0.1205  0.2500  0.1700  1
]