data_Y2CrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   136.1
_cell_angle_beta   136.1
_cell_angle_gamma   63.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrAu
_chemical_formula_sum   'Y2 Cr1 Au1'
_cell_volume   92.48
_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  Y2  1  0.17  0.0  0.46  1.0
  Y  Y3  1  0.0  0.0  0.92  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.17  0.46  1.0

data_Y2CrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.8
_cell_angle_alpha   111.95
_cell_angle_beta   111.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrAu
_chemical_formula_sum   'Y2 Cr1 Au1'
_cell_volume   92.48
_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  0.46  0.29  0.29  1.0
  Y  Y1  1  0.92  0.92  0.92  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.29  0.46  0.29  1.0

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