data_LaTiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.64
_cell_angle_alpha   104.93
_cell_angle_beta   104.93
_cell_angle_gamma   50.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiNi2
_chemical_formula_sum   'La1 Ti1 Ni2'
_cell_volume   77.82
_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  0.49  0.0  0.25  1.0
  Ti  Ti3  1  0.18  0.0  0.54  1.0
  Ni  Ni1  1  0.15  0.0  0.78  1.0
  Ni  Ni2  1  0.76  0.0  0.94  1.0

data_LaTiNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.33
_cell_length_c   5.64
_cell_angle_alpha   104.93
_cell_angle_beta   90.0
_cell_angle_gamma   115.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiNi2
_chemical_formula_sum   'La1 Ti1 Ni2'
_cell_volume   77.82
_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  0.51  0.75  1.0
  Ti  Ti1  1  0.0  0.82  0.46  1.0
  Ni  Ni2  1  0.0  0.24  0.06  1.0
  Ni  Ni3  1  0.0  0.85  0.22  1.0

La Ti Ni Ni