data_MnAlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   126.49
_cell_angle_beta   126.49
_cell_angle_gamma   79.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlBi2
_chemical_formula_sum   'Mn1 Al1 Bi2'
_cell_volume   97.17
_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
  Mn  Mn3  1  0.0  0.0  0.15  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.42  0.0  0.07  1.0
  Bi  Bi2  1  0.0  0.42  0.07  1.0

data_MnAlBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   129.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAlBi2
_chemical_formula_sum   'Mn2 Al2 Bi4'
_cell_volume   194.33
_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
  Mn  Mn0  2  0.35  0.5  0.85  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  4  0.14  0.21  0.35  1.0

Mn Al Bi Bi
Mn Al Bi Bi 0 1 o o o 1 2 o o o 1 3 o o o 