data_AlZn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   131.66
_cell_angle_beta   131.66
_cell_angle_gamma   70.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn2Bi
_chemical_formula_sum   'Al1 Zn2 Bi1'
_cell_volume   83.83
_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
  Zn  Zn2  1  0.0  0.19  0.18  1.0
  Zn  Zn3  1  0.19  0.0  0.18  1.0
  Bi  Bi1  1  0.0  0.0  0.36  1.0

data_AlZn2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   125.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlZn2Bi
_chemical_formula_sum   'Al2 Zn4 Bi2'
_cell_volume   167.67
_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
  Zn  Zn1  4  0.41  0.4  0.01  1.0
  Bi  Bi2  2  0.14  0.5  0.64  1.0

Al Zn Zn Bi
Al Zn Zn Bi 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 