data_La2AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   28.56
_cell_angle_beta   28.56
_cell_angle_gamma   28.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AlNi
_chemical_formula_sum   'La2 Al1 Ni1'
_cell_volume   110.9
_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  0.0  0.0  0.67  1.0
  La  La2  1  0.0  0.0  0.07  1.0
  Al  Al0  1  0.0  0.0  0.49  1.0
  Ni  Ni3  1  0.0  0.0  0.09  1.0

data_La2AlNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.0
_cell_length_b   4.04
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   106.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2AlNi
_chemical_formula_sum   'La4 Al2 Ni2'
_cell_volume   221.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.33  1.0
  La  La1  2  0.0  0.0  0.93  1.0
  Al  Al2  2  0.0  0.0  0.51  1.0
  Ni  Ni3  2  0.0  0.0  0.91  1.0

La La Al Ni