data_LaTi2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.68
_cell_angle_alpha   98.61
_cell_angle_beta   98.61
_cell_angle_gamma   36.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2Cu
_chemical_formula_sum   'La1 Ti2 Cu1'
_cell_volume   83.52
_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  La1  1  0.63  0.0  0.08  1.0
  Ti  Ti2  1  0.11  0.0  0.51  1.0
  Ti  Ti3  1  0.03  0.0  0.33  1.0
  Cu  Cu0  1  0.23  0.0  0.48  1.0

data_LaTi2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.03
_cell_length_c   5.68
_cell_angle_alpha   98.61
_cell_angle_beta   90.0
_cell_angle_gamma   108.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2Cu
_chemical_formula_sum   'La1 Ti2 Cu1'
_cell_volume   83.52
_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  0.37  0.92  1.0
  Ti  Ti1  1  0.0  0.89  0.49  1.0
  Ti  Ti2  1  0.0  0.97  0.67  1.0
  Cu  Cu3  1  0.0  0.77  0.52  1.0

La Ti Ti Cu