data_SrNiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   131.95
_cell_angle_beta   131.95
_cell_angle_gamma   70.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiAu2
_chemical_formula_sum   'Sr1 Ni1 Au2'
_cell_volume   81.11
_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  0.16  0.0  0.17  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.34  1.0
  Au  Au1  1  0.0  0.16  0.17  1.0

data_SrNiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.31
_cell_angle_alpha   114.03
_cell_angle_beta   114.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiAu2
_chemical_formula_sum   'Sr1 Ni1 Au2'
_cell_volume   81.11
_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  0.83  0.0  0.99  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.66  0.0  0.66  1.0
  Au  Au3  1  0.99  0.16  0.99  1.0

Sr Ni Au Au