data_VP2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   140.01
_cell_angle_beta   140.01
_cell_angle_gamma   57.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP2Ir
_chemical_formula_sum   'V1 P2 Ir1'
_cell_volume   51.89
_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  0.4  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.72  0.0  0.2  1.0
  Ir  Ir0  1  0.0  0.72  0.2  1.0

data_VP2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   5.02
_cell_angle_alpha   110.0
_cell_angle_beta   110.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP2Ir
_chemical_formula_sum   'V1 P2 Ir1'
_cell_volume   51.89
_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  0.4  0.4  0.4  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.2  0.48  0.48  1.0
  Ir  Ir3  1  0.48  0.2  0.48  1.0

V P P Ir
V P P Ir 0 2 - o o 0 3 o - o 0 1 o o o 1 2 - o o 1 3 o - o 