data_MnAlB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.23
_cell_length_c   4.23
_cell_angle_alpha   40.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlB2
_chemical_formula_sum   'Mn1 Al1 B2'
_cell_volume   34.4
_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  0.47  0.0  0.81  1.0
  Al  Al0  1  0.0  0.0  0.24  1.0
  B  B1  1  0.47  0.0  0.41  1.0
  B  B2  1  0.0  0.0  0.48  1.0

data_MnAlB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.95
_cell_length_c   4.23
_cell_angle_alpha   110.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlB2
_chemical_formula_sum   'Mn1 Al1 B2'
_cell_volume   34.4
_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  0.53  0.81  0.81  1.0
  Al  Al1  1  0.0  0.24  0.24  1.0
  B  B2  1  0.0  0.48  0.48  1.0
  B  B3  1  0.53  0.41  0.41  1.0

Mn Al B B