data_LaMgTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgTi2
_chemical_formula_sum   'La1 Mg1 Ti2'
_cell_volume   86.79
_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  0.39  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.7  0.97  0.62  1.0
  Ti  Ti3  1  0.7  0.03  0.62  1.0

data_LaMgTi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   98.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgTi2
_chemical_formula_sum   'La1 Mg1 Ti2'
_cell_volume   86.79
_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  0.39  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.62  0.7  0.03  1.0
  Ti  Ti3  1  0.62  0.7  0.97  1.0

La Mg Ti Ti