data_MnBe2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   136.68
_cell_angle_beta   136.68
_cell_angle_gamma   62.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Al
_chemical_formula_sum   'Mn1 Be2 Al1'
_cell_volume   40.74
_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  0.64  0.89  1.0
  Be  Be1  1  0.64  0.0  0.89  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.79  1.0

data_MnBe2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   4.44
_cell_angle_alpha   111.66
_cell_angle_beta   111.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2Al
_chemical_formula_sum   'Mn1 Be2 Al1'
_cell_volume   40.74
_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  0.75  0.64  0.75  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.11  0.0  0.75  1.0
  Al  Al3  1  0.21  0.0  0.21  1.0

Mn Be Be Al