data_La2TiMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   145.71
_cell_angle_beta   129.45
_cell_angle_gamma   62.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiMn
_chemical_formula_sum   'La2 Ti1 Mn1'
_cell_volume   92.9
_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
  La  La0  1  0.0  0.56  0.05  1.0
  La  La1  1  0.77  0.0  0.08  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.0  0.0  0.13  1.0

data_La2TiMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.12
_cell_length_c   6.0
_cell_angle_alpha   115.27
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiMn
_chemical_formula_sum   'La2 Ti1 Mn1'
_cell_volume   92.9
_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
  La  La0  1  0.0  0.08  0.31  1.0
  La  La1  1  0.44  0.48  0.48  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.13  0.13  1.0

La La Ti Mn