data_LiLa2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   9.09
_cell_angle_alpha   101.5
_cell_angle_beta   101.5
_cell_angle_gamma   59.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Fe
_chemical_formula_sum   'Li1 La2 Fe1'
_cell_volume   119.54
_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  0.0  0.0  0.0  1.0
  La  La1  1  0.11  0.0  0.95  1.0
  La  La2  1  0.68  0.0  0.9  1.0
  Fe  Fe0  1  0.4  0.0  0.42  1.0

data_LiLa2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.96
_cell_length_c   9.09
_cell_angle_alpha   101.5
_cell_angle_beta   90.0
_cell_angle_gamma   119.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Fe
_chemical_formula_sum   'Li1 La2 Fe1'
_cell_volume   119.54
_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  0.0  0.0  1.0
  La  La1  1  0.0  0.32  0.1  1.0
  La  La2  1  0.0  0.89  0.05  1.0
  Fe  Fe3  1  0.0  0.6  0.58  1.0

Li La La Fe