data_AlOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   149.73
_cell_angle_beta   128.5
_cell_angle_gamma   60.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlOsPd2
_chemical_formula_sum   'Al1 Os1 Pd2'
_cell_volume   59.14
_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  0.59  1.0
  Os  Os1  1  0.0  0.31  0.13  1.0
  Pd  Pd2  1  0.0  0.0  0.15  1.0
  Pd  Pd3  1  0.39  0.0  0.51  1.0

data_AlOsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.63
_cell_length_c   5.33
_cell_angle_alpha   115.75
_cell_angle_beta   105.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlOsPd2
_chemical_formula_sum   'Al1 Os1 Pd2'
_cell_volume   59.14
_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  0.41  0.41  0.41  1.0
  Pd  Pd1  1  0.85  0.85  0.85  1.0
  Os  Os2  1  0.87  0.18  0.18  1.0
  Pd  Pd3  1  0.89  0.49  0.89  1.0

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