data_KTa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   2.74
_cell_angle_alpha   101.05
_cell_angle_beta   101.05
_cell_angle_gamma   126.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Au
_chemical_formula_sum   'K1 Ta2 Au1'
_cell_volume   86.13
_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  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.9  0.08  0.24  1.0
  Ta  Ta3  1  0.9  0.92  0.24  1.0
  Au  Au0  1  0.97  0.0  0.0  1.0

data_KTa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.38
_cell_length_c   6.56
_cell_angle_alpha   113.68
_cell_angle_beta   101.05
_cell_angle_gamma   92.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2Au
_chemical_formula_sum   'K1 Ta2 Au1'
_cell_volume   86.13
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.16  0.92  0.83  1.0
  Ta  Ta2  1  0.32  0.08  0.98  1.0
  Au  Au3  1  0.0  0.0  0.97  1.0

K Ta Ta Au