data_Be2AlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlOs
_chemical_formula_sum   'Be2 Al1 Os1'
_cell_volume   50.18
_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
  Be  Be1  1  0.44  0.0  0.08  1.0
  Be  Be2  1  0.44  0.0  0.68  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.88  1.0

data_Be2AlOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlOs
_chemical_formula_sum   'Be2 Al1 Os1'
_cell_volume   50.18
_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
  Be  Be0  1  0.44  0.0  0.08  1.0
  Be  Be1  1  0.44  0.0  0.68  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.88  1.0

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