data_Mn2NbAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   145.47
_cell_angle_beta   130.72
_cell_angle_gamma   61.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbAl
_chemical_formula_sum   'Mn2 Nb1 Al1'
_cell_volume   53.58
_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  Mn1  1  0.49  0.0  0.08  1.0
  Mn  Mn2  1  0.0  0.0  0.06  1.0
  Nb  Nb3  1  0.49  0.0  0.22  1.0
  Al  Al0  1  0.0  0.0  0.56  1.0

data_Mn2NbAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.18
_cell_length_c   5.01
_cell_angle_alpha   114.64
_cell_angle_beta   107.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbAl
_chemical_formula_sum   'Mn2 Nb1 Al1'
_cell_volume   53.58
_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  0.41  0.92  0.41  1.0
  Mn  Mn1  1  0.94  0.94  0.94  1.0
  Nb  Nb2  1  0.27  0.78  0.27  1.0
  Al  Al3  1  0.44  0.44  0.44  1.0

Mn Mn Nb Al