data_LiLaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.64
_cell_angle_alpha   110.0
_cell_angle_beta   110.0
_cell_angle_gamma   56.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaFe2
_chemical_formula_sum   'Li1 La1 Fe2'
_cell_volume   72.37
_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
  Li  Li3  1  0.21  0.0  0.53  1.0
  La  La2  1  0.42  0.0  0.42  1.0
  Fe  Fe0  1  0.03  0.0  0.37  1.0
  Fe  Fe1  1  0.82  0.0  0.47  1.0

data_LiLaFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.08
_cell_length_c   5.64
_cell_angle_alpha   110.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaFe2
_chemical_formula_sum   'Li1 La1 Fe2'
_cell_volume   72.37
_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
  Li  Li0  1  0.0  0.79  0.47  1.0
  La  La1  1  0.0  0.58  0.58  1.0
  Fe  Fe2  1  0.0  0.18  0.53  1.0
  Fe  Fe3  1  0.0  0.97  0.63  1.0

Li La Fe Fe