data_La2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.5
_cell_angle_alpha   147.74
_cell_angle_beta   139.93
_cell_angle_gamma   52.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeSi
_chemical_formula_sum   'La2 Fe1 Si1'
_cell_volume   93.78
_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  0.29  1.0
  La  La2  1  0.0  0.23  0.89  1.0
  Fe  Fe0  1  0.81  0.0  0.51  1.0
  Si  Si3  1  0.0  0.0  0.97  1.0

data_La2FeSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.45
_cell_length_c   6.5
_cell_angle_alpha   110.03
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeSi
_chemical_formula_sum   'La2 Fe1 Si1'
_cell_volume   93.78
_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  0.11  0.34  0.34  1.0
  La  La1  1  0.71  0.71  0.71  1.0
  Fe  Fe2  1  0.29  0.49  0.29  1.0
  Si  Si3  1  0.03  0.03  0.03  1.0

La La Fe Si