data_LaTiZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   126.27
_cell_angle_beta   122.27
_cell_angle_gamma   82.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiZn2
_chemical_formula_sum   'La1 Ti1 Zn2'
_cell_volume   85.06
_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  0.0  0.8  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.45  0.97  1.0
  Zn  Zn3  1  0.29  0.0  0.83  1.0

data_LaTiZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.89
_cell_length_c   5.06
_cell_angle_alpha   118.86
_cell_angle_beta   116.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiZn2
_chemical_formula_sum   'La1 Ti1 Zn2'
_cell_volume   85.06
_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  0.8  0.8  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.83  0.54  1.0
  Zn  Zn3  1  0.55  0.52  0.52  1.0

La Ti Zn Zn