data_K2ScAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   142.24
_cell_angle_beta   142.24
_cell_angle_gamma   54.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScAu
_chemical_formula_sum   'K2 Sc1 Au1'
_cell_volume   121.32
_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  0.23  0.06  1.0
  K  K2  1  0.23  0.0  0.06  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.12  1.0

data_K2ScAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   117.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2ScAu
_chemical_formula_sum   'K4 Sc2 Au2'
_cell_volume   242.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.11  0.11  0.17  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.0  0.0  0.88  1.0

K K Sc Au