data_SrAsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.67
_cell_angle_alpha   112.2
_cell_angle_beta   112.2
_cell_angle_gamma   55.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAsAu2
_chemical_formula_sum   'Sr1 As1 Au2'
_cell_volume   97.1
_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  0.1  0.0  0.61  1.0
  As  As0  1  0.22  0.0  0.58  1.0
  Au  Au1  1  0.0  0.0  0.8  1.0
  Au  Au2  1  0.75  0.0  0.84  1.0

data_SrAsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.78
_cell_length_c   5.67
_cell_angle_alpha   112.2
_cell_angle_beta   90.0
_cell_angle_gamma   117.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAsAu2
_chemical_formula_sum   'Sr1 As1 Au2'
_cell_volume   97.1
_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  0.9  0.39  1.0
  As  As1  1  0.0  0.78  0.42  1.0
  Au  Au2  1  0.0  0.25  0.16  1.0
  Au  Au3  1  0.0  1.0  0.2  1.0

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