data_Ti2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.17
_cell_angle_alpha   104.88
_cell_angle_beta   104.88
_cell_angle_gamma   34.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Mn
_chemical_formula_sum   'Ti4 Mn2'
_cell_volume   86.48
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Ti  Ti3  1  0.17  0.0  0.89  1.0
  Ti  Ti4  1  0.17  0.0  0.97  1.0
  Ti  Ti5  1  0.84  0.0  0.06  1.0
  Mn  Mn0  1  0.05  0.0  0.04  1.0
  Mn  Mn1  1  0.97  0.0  0.9  1.0

data_Ti2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.07
_cell_length_c   6.17
_cell_angle_alpha   104.88
_cell_angle_beta   90.0
_cell_angle_gamma   107.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Mn
_chemical_formula_sum   'Ti4 Mn2'
_cell_volume   86.48
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.16  0.94  1.0
  Ti  Ti2  1  0.0  0.83  0.03  1.0
  Ti  Ti3  1  0.0  0.83  0.11  1.0
  Mn  Mn4  1  0.0  0.03  0.1  1.0
  Mn  Mn5  1  0.0  0.95  0.96  1.0

Ti Ti Ti Ti Mn Mn