data_MnBeAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   135.13
_cell_angle_beta   135.13
_cell_angle_gamma   65.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeAl2
_chemical_formula_sum   'Mn1 Be1 Al2'
_cell_volume   48.68
_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  0.77  0.0  0.95  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.9  1.0
  Al  Al1  1  0.0  0.77  0.95  1.0

data_MnBeAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   4.63
_cell_angle_alpha   112.44
_cell_angle_beta   112.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeAl2
_chemical_formula_sum   'Mn1 Be1 Al2'
_cell_volume   48.68
_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  0.05  0.0  0.82  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.1  0.0  0.1  1.0
  Al  Al3  1  0.82  0.77  0.82  1.0

Mn Be Al Al
Mn Be Al Al 0 1 + o + 1 2 o o - 1 3 o - - 