data_V2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.4
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   98.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PAu
_chemical_formula_sum   'V2 P1 Au1'
_cell_volume   57.47
_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  0.02  0.7  0.21  1.0
  V  V3  1  0.93  0.7  0.71  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.55  0.0  0.96  1.0

data_V2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.4
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   98.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PAu
_chemical_formula_sum   'V2 P1 Au1'
_cell_volume   57.47
_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  0.02  0.7  0.21  1.0
  V  V1  1  0.93  0.7  0.71  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.55  0.0  0.96  1.0

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