data_AlNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   2.67
_cell_angle_alpha   100.51
_cell_angle_beta   100.51
_cell_angle_gamma   117.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Pd
_chemical_formula_sum   'Al1 Ni2 Pd1'
_cell_volume   51.68
_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
  Ni  Ni1  1  0.78  0.07  0.25  1.0
  Ni  Ni2  1  0.78  0.93  0.25  1.0
  Pd  Pd3  1  0.5  0.0  0.0  1.0

data_AlNi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.77
_cell_length_c   4.83
_cell_angle_alpha   116.21
_cell_angle_beta   100.51
_cell_angle_gamma   100.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Pd
_chemical_formula_sum   'Al1 Ni2 Pd1'
_cell_volume   51.68
_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
  Ni  Ni1  1  0.18  0.93  0.72  1.0
  Ni  Ni2  1  0.31  0.07  0.85  1.0
  Pd  Pd3  1  0.0  0.0  0.5  1.0

Al Ni Ni Pd