data_MnNb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.36
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   100.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Al
_chemical_formula_sum   'Mn1 Nb2 Al1'
_cell_volume   62.27
_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  0.12  0.18  0.89  1.0
  Nb  Nb2  1  0.2  0.0  0.87  1.0
  Nb  Nb3  1  0.97  0.18  0.34  1.0
  Al  Al0  1  0.66  0.0  0.49  1.0

data_MnNb2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.36
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   100.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Al
_chemical_formula_sum   'Mn1 Nb2 Al1'
_cell_volume   62.27
_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  0.12  0.18  0.89  1.0
  Nb  Nb1  1  0.2  0.0  0.87  1.0
  Nb  Nb2  1  0.97  0.18  0.34  1.0
  Al  Al3  1  0.66  0.0  0.49  1.0

Mn Nb Nb Al