data_SrCaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaAu2
_chemical_formula_sum   'Sr1 Ca1 Au2'
_cell_volume   116.79
_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
  Sr  Sr3  1  0.94  0.0  0.07  1.0
  Ca  Ca2  1  0.0  0.0  0.82  1.0
  Au  Au0  1  0.0  0.0  0.47  1.0
  Au  Au1  1  0.94  0.0  0.27  1.0

data_SrCaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaAu2
_chemical_formula_sum   'Sr1 Ca1 Au2'
_cell_volume   116.79
_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
  Sr  Sr0  1  0.94  0.0  0.07  1.0
  Ca  Ca1  1  0.0  0.0  0.82  1.0
  Au  Au2  1  0.0  0.0  0.47  1.0
  Au  Au3  1  0.94  0.0  0.27  1.0

Sr Ca Au Au
Sr Ca Au Au 0 3 o o o 0 1 + o - 2 3 - o o 