data_KSr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   148.06
_cell_angle_beta   127.69
_cell_angle_gamma   62.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Au
_chemical_formula_sum   'K1 Sr2 Au1'
_cell_volume   184.41
_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
  Sr  Sr2  1  0.0  0.37  0.33  1.0
  Sr  Sr3  1  0.1  0.0  0.19  1.0
  Au  Au0  1  0.0  0.0  0.52  1.0

data_KSr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   6.73
_cell_length_c   7.63
_cell_angle_alpha   116.15
_cell_angle_beta   105.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Au
_chemical_formula_sum   'K1 Sr2 Au1'
_cell_volume   184.41
_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
  Sr  Sr1  1  0.67  0.04  0.04  1.0
  Sr  Sr2  1  0.91  0.81  0.91  1.0
  Au  Au3  1  0.48  0.48  0.48  1.0

K Sr Sr Au