data_KTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   3.15
_cell_angle_alpha   95.4
_cell_angle_beta   95.4
_cell_angle_gamma   110.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe2Au
_chemical_formula_sum   'K1 Te2 Au1'
_cell_volume   112.06
_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
  Te  Te2  1  0.51  0.54  0.55  1.0
  Te  Te3  1  0.51  0.46  0.55  1.0
  Au  Au0  1  0.54  0.0  0.0  1.0

data_KTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   110.29
_cell_angle_beta   95.4
_cell_angle_gamma   95.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe2Au
_chemical_formula_sum   'K1 Te2 Au1'
_cell_volume   112.06
_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
  Te  Te1  1  0.55  0.51  0.46  1.0
  Te  Te2  1  0.55  0.51  0.54  1.0
  Au  Au3  1  -0.0  0.54  0.0  1.0

K Te Te Au
K Te Te Au 0 2 - - - 0 2 o o o 0 1 - - - 0 3 - o o 0 3 o o o 0 0 o o + 1 2 o o o 1 3 o + + 1 3 o + o 2 3 o o + 2 3 o o o 2 3 o + + 3 3 o o + 