data_Sr2CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   138.3
_cell_angle_beta   138.3
_cell_angle_gamma   60.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdAu
_chemical_formula_sum   'Sr2 Cd1 Au1'
_cell_volume   126.81
_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  Sr2  1  0.0  0.35  0.86  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.72  1.0
  Au  Au0  1  0.35  0.0  0.86  1.0

data_Sr2CdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   6.62
_cell_angle_alpha   110.85
_cell_angle_beta   110.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdAu
_chemical_formula_sum   'Sr2 Cd1 Au1'
_cell_volume   126.81
_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  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.5  0.86  0.5  1.0
  Cd  Cd2  1  0.72  0.72  0.72  1.0
  Au  Au3  1  0.86  0.5  0.5  1.0

Sr Sr Cd Au
Sr Sr Cd Au 0 2 o o o 1 2 o o - 2 3 o o o 