data_Ti2MnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   7.37
_cell_angle_alpha   110.11
_cell_angle_beta   110.11
_cell_angle_gamma   48.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnCl
_chemical_formula_sum   'Ti2 Mn1 Cl1'
_cell_volume   68.68
_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  0.64  0.0  0.13  1.0
  Ti  Ti3  1  0.23  0.0  0.7  1.0
  Mn  Mn1  1  0.94  0.0  0.41  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ti2MnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.66
_cell_length_c   7.01
_cell_angle_alpha   80.79
_cell_angle_beta   77.54
_cell_angle_gamma   65.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnCl
_chemical_formula_sum   'Ti2 Mn1 Cl1'
_cell_volume   68.68
_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  0.51  0.13  1.0
  Ti  Ti1  1  0.0  0.54  0.7  1.0
  Mn  Mn2  1  0.0  0.53  0.41  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ti Ti Mn Cl