data_AlNi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   34.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Bi
_chemical_formula_sum   'Al1 Ni2 Bi1'
_cell_volume   66.45
_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  0.26  1.0
  Ni  Ni2  1  0.0  0.0  0.07  1.0
  Ni  Ni3  1  0.93  0.0  0.68  1.0
  Bi  Bi1  1  0.93  0.0  0.35  1.0

data_AlNi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.85
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Bi
_chemical_formula_sum   'Al1 Ni2 Bi1'
_cell_volume   66.45
_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  0.74  0.0  0.74  1.0
  Ni  Ni1  1  0.32  0.93  0.32  1.0
  Ni  Ni2  1  0.93  0.0  0.93  1.0
  Bi  Bi3  1  0.65  0.93  0.65  1.0

Al Ni Ni Bi
Al Ni Ni Bi 0 3 - o o 0 1 o o o 1 2 - o - 2 3 o o o 