data_KTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.75
_cell_angle_alpha   95.38
_cell_angle_beta   95.38
_cell_angle_gamma   30.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTeAu2
_chemical_formula_sum   'K1 Te1 Au2'
_cell_volume   97.28
_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  K2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.3  0.0  0.86  1.0
  Au  Au0  1  0.34  0.0  0.28  1.0
  Au  Au1  1  0.27  0.0  0.44  1.0

data_KTeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.75
_cell_length_c   5.79
_cell_angle_alpha   95.38
_cell_angle_beta   105.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTeAu2
_chemical_formula_sum   'K1 Te1 Au2'
_cell_volume   97.28
_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  0.0  0.86  0.3  1.0
  Au  Au2  1  0.0  0.28  0.34  1.0
  Au  Au3  1  0.0  0.44  0.27  1.0

K Te Au Au