data_MnAl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   5.95
_cell_angle_alpha   100.14
_cell_angle_beta   100.14
_cell_angle_gamma   39.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl2Bi
_chemical_formula_sum   'Mn1 Al2 Bi1'
_cell_volume   80.24
_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  0.31  0.0  0.98  1.0
  Al  Al0  1  0.04  0.0  0.19  1.0
  Al  Al1  1  0.38  0.0  0.8  1.0
  Bi  Bi2  1  0.73  0.0  0.81  1.0

data_MnAl2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.65
_cell_length_c   5.95
_cell_angle_alpha   100.14
_cell_angle_beta   90.0
_cell_angle_gamma   109.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl2Bi
_chemical_formula_sum   'Mn1 Al2 Bi1'
_cell_volume   80.24
_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  Mn0  1  0.0  0.69  0.02  1.0
  Al  Al1  1  0.0  0.62  0.2  1.0
  Al  Al2  1  0.0  0.96  0.81  1.0
  Bi  Bi3  1  0.0  0.27  0.19  1.0

Mn Al Al Bi