data_AlBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.86
_cell_angle_alpha   99.96
_cell_angle_beta   99.96
_cell_angle_gamma   44.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi2Pd
_chemical_formula_sum   'Al1 Bi2 Pd1'
_cell_volume   98.55
_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  0.1  0.0  0.57  1.0
  Bi  Bi1  1  0.21  0.0  0.26  1.0
  Bi  Bi2  1  0.08  0.0  0.17  1.0
  Pd  Pd3  1  0.58  0.0  0.84  1.0

data_AlBi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.57
_cell_length_c   6.86
_cell_angle_alpha   99.96
_cell_angle_beta   90.0
_cell_angle_gamma   112.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi2Pd
_chemical_formula_sum   'Al1 Bi2 Pd1'
_cell_volume   98.55
_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  0.9  0.43  1.0
  Bi  Bi1  1  0.0  0.79  0.74  1.0
  Bi  Bi2  1  0.0  0.92  0.83  1.0
  Pd  Pd3  1  0.0  0.42  0.16  1.0

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