data_AlAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgBi2
_chemical_formula_sum   'Al1 Ag1 Bi2'
_cell_volume   100.21
_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  0.22  1.0
  Bi  Bi2  1  0.38  0.0  0.13  1.0
  Bi  Bi3  1  0.38  0.0  0.31  1.0

data_AlAgBi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlAgBi2
_chemical_formula_sum   'Al1 Ag1 Bi2'
_cell_volume   100.3
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ag  Ag1  1  0.0  0.0  0.22  1.0
  Bi  Bi2  1  0.38  0.0  0.13  1.0
  Bi  Bi3  1  0.38  0.0  0.31  1.0

Al Ag Bi Bi
Al Ag Bi Bi 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 