data_YCrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrAu2
_chemical_formula_sum   'Y1 Cr1 Au2'
_cell_volume   84.69
_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
  Y  Y3  1  0.25  0.0  0.83  1.0
  Cr  Cr2  1  0.0  0.0  0.8  1.0
  Au  Au0  1  0.0  0.0  0.24  1.0
  Au  Au1  1  0.25  0.0  0.32  1.0

data_YCrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrAu2
_chemical_formula_sum   'Y1 Cr1 Au2'
_cell_volume   84.69
_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
  Y  Y0  1  0.25  0.0  0.83  1.0
  Cr  Cr1  1  0.0  0.0  0.8  1.0
  Au  Au2  1  0.0  0.0  0.24  1.0
  Au  Au3  1  0.25  0.0  0.32  1.0

Y Cr Au Au
Y Cr Au Au 0 1 o o o 2 3 o o o 