data_YVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YVAu2
_chemical_formula_sum   'Y1 V1 Au2'
_cell_volume   80.05
_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  0.0  0.0  0.27  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.75  0.75  0.09  1.0
  Au  Au1  1  0.75  0.75  0.46  1.0

data_YVAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YVAu2
_chemical_formula_sum   'Y2 V2 Au4'
_cell_volume   160.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.27  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.25  0.5  0.09  1.0
  Au  Au3  2  0.25  0.5  0.46  1.0

Y V Au Au
Y V Au Au 0 2 - - o 0 3 - - o 0 1 o o o 1 2 - - o 