data_AlOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlOs2Pd
_chemical_formula_sum   'Al1 Os2 Pd1'
_cell_volume   58.09
_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
  Os  Os1  1  0.33  0.95  0.4  1.0
  Os  Os2  1  0.33  0.05  0.4  1.0
  Pd  Pd3  1  0.66  0.0  0.0  1.0

data_AlOs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   111.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlOs2Pd
_chemical_formula_sum   'Al1 Os2 Pd1'
_cell_volume   58.09
_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
  Pd  Pd1  1  -0.0  0.66  0.0  1.0
  Os  Os2  1  0.4  0.33  0.05  1.0
  Os  Os3  1  0.4  0.33  0.95  1.0

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