data_AlV2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Os
_chemical_formula_sum   'Al1 V2 Os1'
_cell_volume   56.38
_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  0.51  0.0  0.34  1.0
  V  V3  1  0.51  0.0  0.16  1.0
  Os  Os1  1  0.0  0.0  0.25  1.0

data_AlV2Os
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.67
_cell_length_b   8.5
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   111.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   AlV2Os
_chemical_formula_sum   'Al1 V2 Os1'
_cell_volume   56.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.5  0.66  0.0  1.0
  V  V2  1  0.5  0.84  0.0  1.0
  Os  Os3  1  0.0  0.75  0.0  1.0

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