data_V2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   145.58
_cell_angle_beta   133.24
_cell_angle_gamma   59.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PAu
_chemical_formula_sum   'V2 P1 Au1'
_cell_volume   58.02
_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  0.0  0.07  0.08  1.0
  V  V3  1  0.0  0.0  0.4  1.0
  P  P1  1  0.0  0.0  0.84  1.0
  Au  Au0  1  0.0  0.07  0.27  1.0

data_V2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.14
_cell_length_c   5.22
_cell_angle_alpha   113.38
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PAu
_chemical_formula_sum   'V2 P1 Au1'
_cell_volume   58.02
_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  0.6  0.6  0.6  1.0
  V  V1  1  0.92  0.99  0.99  1.0
  P  P2  1  0.16  0.16  0.16  1.0
  Au  Au3  1  0.73  0.8  0.8  1.0

V V P Au