data_AlV2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   2.68
_cell_angle_alpha   98.86
_cell_angle_beta   98.86
_cell_angle_gamma   117.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Os
_chemical_formula_sum   'Al1 V2 Os1'
_cell_volume   55.32
_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  0.0  0.0  0.0  1.0
  V  V2  1  0.88  0.88  0.28  1.0
  V  V3  1  0.88  0.12  0.28  1.0
  Os  Os1  1  0.55  0.0  0.0  1.0

data_AlV2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   117.84
_cell_angle_beta   98.86
_cell_angle_gamma   98.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Os
_chemical_formula_sum   'Al1 V2 Os1'
_cell_volume   55.32
_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  0.0  0.0  0.0  1.0
  V  V1  1  0.28  0.88  0.12  1.0
  V  V2  1  0.28  0.88  0.88  1.0
  Os  Os3  1  0.0  0.55  0.0  1.0

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