data_AlZnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.55
_cell_angle_alpha   111.5
_cell_angle_beta   111.5
_cell_angle_gamma   32.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnOs2
_chemical_formula_sum   'Al1 Zn1 Os2'
_cell_volume   57.27
_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  0.83  0.0  0.75  1.0
  Zn  Zn3  1  0.93  0.0  0.43  1.0
  Os  Os1  1  0.41  0.0  0.29  1.0
  Os  Os2  1  0.34  0.0  0.85  1.0

data_AlZnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.55
_cell_length_c   5.03
_cell_angle_alpha   111.5
_cell_angle_beta   106.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnOs2
_chemical_formula_sum   'Al1 Zn1 Os2'
_cell_volume   57.27
_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  0.75  0.83  1.0
  Zn  Zn1  1  0.0  0.43  0.93  1.0
  Os  Os2  1  0.0  0.29  0.41  1.0
  Os  Os3  1  0.0  0.85  0.34  1.0

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