data_[Zr4Tl4As4O20]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4275]
_cell_length_b [9.7396]
_cell_length_c [7.8381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZrTlAsO5]
_chemical_formula_sum '[Zr4 Tl4 As4 O20]'
_cell_volume [507.0382]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3238  0.2500  1.0
  As  As2  4  0.0000  0.3113  0.7500  1.0
  O  O3  8  0.0804  0.2085  0.6166  1.0
  O  O4  8  0.1943  0.4158  0.8977  1.0
  O  O5  4  0.0000  0.0580  0.2500  1.0
]