data_Ti2MnAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   143.2
_cell_angle_beta   126.91
_cell_angle_gamma   66.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnAl
_chemical_formula_sum   'Ti2 Mn1 Al1'
_cell_volume   58.77
_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
  Ti  Ti2  1  0.0  0.23  0.8  1.0
  Ti  Ti3  1  0.58  0.0  0.38  1.0
  Mn  Mn1  1  0.0  0.0  0.18  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Ti2MnAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.46
_cell_length_c   4.99
_cell_angle_alpha   116.54
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnAl
_chemical_formula_sum   'Ti2 Mn1 Al1'
_cell_volume   58.77
_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
  Ti  Ti0  1  0.0  0.38  0.81  1.0
  Ti  Ti1  1  0.77  0.57  0.57  1.0
  Mn  Mn2  1  0.0  0.18  0.18  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

Ti Ti Mn Al