data_AlBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   146.76
_cell_angle_beta   137.15
_cell_angle_gamma   55.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi3
_chemical_formula_sum   'Al1 Bi3'
_cell_volume   117.3
_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
  Bi  Bi1  1  0.0  0.0  0.04  1.0
  Bi  Bi2  1  0.95  0.0  0.3  1.0
  Bi  Bi3  1  0.0  0.49  0.74  1.0

data_AlBi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.98
_cell_length_c   6.82
_cell_angle_alpha   111.43
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi3
_chemical_formula_sum   'Al1 Bi3'
_cell_volume   117.3
_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
  Bi  Bi1  1  0.0  0.04  0.04  1.0
  Bi  Bi2  1  0.0  0.3  0.35  1.0
  Bi  Bi3  1  0.51  0.25  0.25  1.0

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