data_V2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   137.9
_cell_angle_beta   137.9
_cell_angle_gamma   61.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2POs
_chemical_formula_sum   'V2 P1 Os1'
_cell_volume   52.64
_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  0.76  0.0  0.11  1.0
  V  V3  1  0.0  0.0  0.23  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.76  0.11  1.0

data_V2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   4.91
_cell_angle_alpha   111.05
_cell_angle_beta   111.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2POs
_chemical_formula_sum   'V2 P1 Os1'
_cell_volume   52.64
_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  0.11  0.35  0.35  1.0
  V  V1  1  0.23  0.23  0.23  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.35  0.11  0.35  1.0

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