data_AlNiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   135.4
_cell_angle_beta   119.51
_cell_angle_gamma   78.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiBi2
_chemical_formula_sum   'Al1 Ni1 Bi2'
_cell_volume   92.03
_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  Ni3  1  0.0  0.0  0.17  1.0
  Bi  Bi1  1  0.0  0.71  0.85  1.0
  Bi  Bi2  1  0.04  0.0  0.32  1.0

data_AlNiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   60.49
_cell_angle_beta   67.7
_cell_angle_gamma   67.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiBi2
_chemical_formula_sum   'Al1 Ni1 Bi2'
_cell_volume   92.03
_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  0.0  0.0  0.17  1.0
  Bi  Bi2  1  0.0  0.96  0.32  1.0
  Bi  Bi3  1  0.71  0.0  0.14  1.0

Al Ni Bi Bi