data_VMoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   130.95
_cell_angle_beta   130.95
_cell_angle_gamma   71.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMoAu2
_chemical_formula_sum   'V1 Mo1 Au2'
_cell_volume   64.8
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.03  0.98  1.0
  Au  Au0  1  0.03  0.0  0.98  1.0
  Au  Au1  1  0.0  0.0  0.95  1.0

data_VMoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   4.88
_cell_angle_alpha   114.52
_cell_angle_beta   114.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMoAu2
_chemical_formula_sum   'V1 Mo1 Au2'
_cell_volume   64.8
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.05  0.03  0.05  1.0
  Au  Au2  1  0.02  0.0  0.05  1.0
  Au  Au3  1  0.05  0.0  0.05  1.0

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