data_[Cs4Tc4Au4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tc  1.9000  1.3500  0.7417
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.9713]
_cell_length_b [3.2050]
_cell_length_c [10.7052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsTcAuO3]
_chemical_formula_sum '[Cs4 Tc4 Au4 O12]'
_cell_volume [445.0514]
_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
[
  Cs  Cs0  4  0.2450  0.7500  0.9108  1
  Tc  Tc1  4  0.0397  0.2500  0.6271  1
  Au  Au2  4  0.0241  0.2500  0.0975  1
  O  O3  4  0.0394  0.2500  0.3024  1
  O  O4  4  0.0750  0.7500  0.5134  1
  O  O5  4  0.1610  0.2500  0.6977  1
]