data_[Ca4Tl2Au2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [3.6406]
_cell_length_b [11.9102]
_cell_length_c [6.5478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Ca2TlAuO5]
_chemical_formula_sum '[Ca4 Tl2 Au2 O10]'
_cell_volume [279.7586]
_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
[
  Ca  Ca0  2  0.0980  0.3310  0.6189  1.0
  Ca  Ca1  2  0.3840  0.7480  0.8565  1.0
  Tl  Tl2  2  0.0438  0.9916  0.9796  1.0
  Au  Au3  2  0.4227  0.0624  0.5787  1.0
  O  O4  2  0.0834  0.3156  0.9687  1.0
  O  O5  2  0.2098  0.9195  0.6843  1.0
  O  O6  2  0.3915  0.9845  0.3006  1.0
  O  O7  2  0.4476  0.7182  0.5156  1.0
  O  O8  2  0.4710  0.6052  0.1099  1.0
]