data_Al2VP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VP
_chemical_formula_sum   'Al2 V1 P1'
_cell_volume   57.42
_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
  Al  Al0  1  0.25  0.01  0.44  1.0
  Al  Al1  1  0.25  0.99  0.44  1.0
  V  V3  1  0.51  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Al2VP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   115.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VP
_chemical_formula_sum   'Al2 V1 P1'
_cell_volume   57.42
_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
  Al  Al0  1  0.44  0.25  0.01  1.0
  Al  Al1  1  0.44  0.25  0.99  1.0
  V  V2  1  0.0  0.51  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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