data_LaFe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   147.94
_cell_angle_beta   131.65
_cell_angle_gamma   59.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Sn
_chemical_formula_sum   'La1 Fe2 Sn1'
_cell_volume   80.15
_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  La2  1  0.0  0.41  0.05  1.0
  Fe  Fe0  1  0.0  0.41  0.87  1.0
  Fe  Fe1  1  0.0  0.0  0.18  1.0
  Sn  Sn3  1  0.0  0.0  0.25  1.0

data_LaFe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.82
_cell_length_c   5.88
_cell_angle_alpha   114.17
_cell_angle_beta   106.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Sn
_chemical_formula_sum   'La1 Fe2 Sn1'
_cell_volume   80.15
_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  0.95  0.36  0.36  1.0
  Fe  Fe1  1  0.13  0.54  0.54  1.0
  Fe  Fe2  1  0.82  0.82  0.82  1.0
  Sn  Sn3  1  0.75  0.75  0.75  1.0

La Fe Fe Sn