data_V2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.17
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   102.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2MoAu
_chemical_formula_sum   'V2 Mo1 Au1'
_cell_volume   60.89
_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  V2  1  0.83  0.09  0.24  1.0
  V  V3  1  0.57  0.09  0.24  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.37  0.0  0.74  1.0

data_V2MoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.17
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   102.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2MoAu
_chemical_formula_sum   'V2 Mo1 Au1'
_cell_volume   60.89
_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  0.57  0.09  0.24  1.0
  V  V1  1  0.83  0.09  0.24  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.37  0.0  0.74  1.0

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