data_V2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28
_cell_length_b   8.28
_cell_length_c   8.28
_cell_angle_alpha   19.21
_cell_angle_beta   19.21
_cell_angle_gamma   19.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2POs
_chemical_formula_sum   'V2 P1 Os1'
_cell_volume   53.69
_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  0.0  0.17  1.0
  V  V3  1  0.0  0.0  0.2  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.0  0.19  1.0

data_V2POs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   2.76
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   101.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2POs
_chemical_formula_sum   'V4 P2 Os2'
_cell_volume   107.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.8  1.0
  V  V1  2  0.0  0.0  0.83  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  0.0  0.0  0.81  1.0

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