data_KAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   146.23
_cell_angle_beta   142.56
_cell_angle_gamma   51.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAs2Au
_chemical_formula_sum   'K1 As2 Au1'
_cell_volume   107.87
_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  K3  1  0.0  0.0  0.83  1.0
  As  As0  1  0.99  0.0  0.25  1.0
  As  As1  1  0.0  0.0  0.82  1.0
  Au  Au2  1  0.0  0.2  0.45  1.0

data_KAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.39
_cell_length_c   6.85
_cell_angle_alpha   108.72
_cell_angle_beta   106.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAs2Au
_chemical_formula_sum   'K1 As2 Au1'
_cell_volume   107.87
_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  0.17  0.17  0.17  1.0
  As  As1  1  0.18  0.18  0.18  1.0
  As  As2  1  0.74  0.75  0.74  1.0
  Au  Au3  1  0.55  0.74  0.74  1.0

K As As Au