data_Y2TiMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.61
_cell_angle_alpha   101.74
_cell_angle_beta   101.74
_cell_angle_gamma   35.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiMn
_chemical_formula_sum   'Y2 Ti1 Mn1'
_cell_volume   95.59
_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
  Y  Y2  1  0.57  0.0  0.39  1.0
  Y  Y3  1  0.61  0.0  0.09  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.59  0.0  0.74  1.0

data_Y2TiMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.45
_cell_length_c   5.61
_cell_angle_alpha   101.74
_cell_angle_beta   90.0
_cell_angle_gamma   107.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiMn
_chemical_formula_sum   'Y2 Ti1 Mn1'
_cell_volume   95.59
_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
  Y  Y0  1  0.0  0.39  0.91  1.0
  Y  Y1  1  0.0  0.43  0.61  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.41  0.26  1.0

Y Y Ti Mn