data_KTa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.6
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   91.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Au
_chemical_formula_sum   'K1 Ta2 Au1'
_cell_volume   95.26
_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  K1  1  0.34  0.0  0.46  1.0
  Ta  Ta2  1  0.91  0.8  0.68  1.0
  Ta  Ta3  1  0.4  0.0  0.25  1.0
  Au  Au0  1  0.88  0.8  0.94  1.0

data_KTa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.6
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   91.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Au
_chemical_formula_sum   'K1 Ta2 Au1'
_cell_volume   95.26
_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  0.34  0.0  0.46  1.0
  Ta  Ta1  1  0.4  0.0  0.25  1.0
  Ta  Ta2  1  0.91  0.8  0.68  1.0
  Au  Au3  1  0.88  0.8  0.94  1.0

K Ta Ta Au