data_[K1Ti1Te4Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [6.7214]
_cell_length_b [6.7214]
_cell_length_c [6.7214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [215]
_chemical_formula_structural [KTiTe4Au3]
_chemical_formula_sum '[K1 Ti1 Te4 Au3]'
_cell_volume [303.6533]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.0000  0.0000  0.0000  1
  Ti  Ti1  1  0.5000  0.5000  0.5000  1
  Te  Te2  4  0.2744  0.2744  0.2744  1
  Au  Au3  3  0.0000  0.5000  0.5000  1
]