data_SrAl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   134.29
_cell_angle_beta   134.29
_cell_angle_gamma   66.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Bi
_chemical_formula_sum   'Sr1 Al2 Bi1'
_cell_volume   106.58
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.31  0.49  1.0
  Al  Al1  1  0.31  0.0  0.49  1.0
  Bi  Bi2  1  0.0  0.0  0.98  1.0

data_SrAl2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   123.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrAl2Bi
_chemical_formula_sum   'Sr2 Al4 Bi2'
_cell_volume   213.17
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.17  0.34  0.82  1.0
  Bi  Bi2  2  0.02  0.0  0.02  1.0

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