data_VCo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   8.77
_cell_angle_alpha   17.63
_cell_angle_beta   17.63
_cell_angle_gamma   17.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCo2Au
_chemical_formula_sum   'V1 Co2 Au1'
_cell_volume   54.03
_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  0.76  1.0
  Co  Co1  1  0.0  0.0  0.2  1.0
  Co  Co2  1  0.0  0.0  0.37  1.0
  Au  Au0  1  0.0  0.0  0.53  1.0

data_VCo2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   2.69
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCo2Au
_chemical_formula_sum   'V2 Co4 Au2'
_cell_volume   108.07
_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
  V  V0  2  -0.0  0.0  0.24  1.0
  Co  Co1  2  -0.0  0.0  0.63  1.0
  Co  Co2  2  -0.0  0.0  0.8  1.0
  Au  Au3  2  -0.0  0.0  0.47  1.0

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