data_Y2AsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   141.44
_cell_angle_beta   140.3
_cell_angle_gamma   56.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AsAu
_chemical_formula_sum   'Y2 As1 Au1'
_cell_volume   94.11
_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
  Y  Y2  1  0.0  0.0  0.89  1.0
  Y  Y3  1  0.05  0.0  0.75  1.0
  As  As0  1  0.0  0.0  0.55  1.0
  Au  Au1  1  0.0  0.11  0.66  1.0

data_Y2AsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.21
_cell_length_c   6.2
_cell_angle_alpha   109.85
_cell_angle_beta   109.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AsAu
_chemical_formula_sum   'Y2 As1 Au1'
_cell_volume   94.11
_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
  Y  Y0  1  0.0  0.75  0.7  1.0
  Y  Y1  1  0.0  0.89  0.89  1.0
  As  As2  1  0.0  0.55  0.55  1.0
  Au  Au3  1  0.89  0.55  0.55  1.0

Y Y As Au
Y Y As Au 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 