data_La2AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   136.27
_cell_angle_beta   136.27
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AlNi
_chemical_formula_sum   'La2 Al1 Ni1'
_cell_volume   96.56
_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  0.19  0.0  0.51  1.0
  La  La2  1  0.0  0.0  0.01  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.19  0.51  1.0

data_La2AlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.89
_cell_angle_alpha   111.86
_cell_angle_beta   111.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AlNi
_chemical_formula_sum   'La2 Al1 Ni1'
_cell_volume   96.56
_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  0.01  0.01  0.01  1.0
  La  La1  1  0.51  0.31  0.31  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.31  0.51  0.31  1.0

La La Al Ni