data_La2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeSi
_chemical_formula_sum   'La2 Fe1 Si1'
_cell_volume   88.5
_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  0.1  1.0
  La  La2  1  0.59  0.59  0.78  1.0
  Fe  Fe0  1  0.59  0.59  1.0  1.0
  Si  Si3  1  0.0  0.0  0.05  1.0

data_La2FeSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2FeSi
_chemical_formula_sum   'La4 Fe2 Si2'
_cell_volume   177.01
_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  0.1  1.0
  La  La1  2  0.09  0.5  0.78  1.0
  Fe  Fe2  2  0.09  0.5  1.0  1.0
  Si  Si3  2  0.0  0.0  0.05  1.0

La La Fe Si
La La Fe Si 0 3 o o o 0 2 - - - 1 2 o o o 2 3 o + + 2 3 + o + 2 3 + + + 