data_VPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPt2Au
_chemical_formula_sum   'V1 Pt2 Au1'
_cell_volume   62.67
_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
  Pt  Pt1  1  0.4  0.02  0.41  1.0
  Pt  Pt2  1  0.4  0.98  0.41  1.0
  Au  Au0  1  0.81  0.0  0.0  1.0

data_VPt2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   109.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPt2Au
_chemical_formula_sum   'V1 Pt2 Au1'
_cell_volume   62.67
_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
  Pt  Pt1  1  0.41  0.4  0.02  1.0
  Pt  Pt2  1  0.41  0.4  0.98  1.0
  Au  Au3  1  0.0  0.81  0.0  1.0

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