data_AlAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   126.75
_cell_angle_beta   126.75
_cell_angle_gamma   78.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgBi2
_chemical_formula_sum   'Al1 Ag1 Bi2'
_cell_volume   99.7
_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  Al1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.2  1.0
  Bi  Bi2  1  0.44  0.0  0.1  1.0
  Bi  Bi3  1  0.0  0.44  0.1  1.0

data_AlAgBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   129.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlAgBi2
_chemical_formula_sum   'Al2 Ag2 Bi4'
_cell_volume   199.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.3  0.5  0.8  1.0
  Bi  Bi2  4  0.12  0.22  0.33  1.0

Al Ag Bi Bi