data_AlOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   146.06
_cell_angle_beta   129.1
_cell_angle_gamma   62.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlOsPd2
_chemical_formula_sum   'Al1 Os1 Pd2'
_cell_volume   58.53
_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  0.0  0.0  0.4  1.0
  Pd  Pd2  1  0.5  0.0  0.05  1.0
  Pd  Pd3  1  0.0  0.21  0.35  1.0

data_AlOsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.43
_cell_length_c   5.15
_cell_angle_alpha   115.45
_cell_angle_beta   106.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlOsPd2
_chemical_formula_sum   'Al1 Os1 Pd2'
_cell_volume   58.53
_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  0.05  0.55  1.0
  Os  Os2  1  0.0  0.4  0.4  1.0
  Pd  Pd3  1  0.79  0.14  0.14  1.0

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