data_Fe2NiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   128.18
_cell_angle_beta   128.18
_cell_angle_gamma   76.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiSn
_chemical_formula_sum   'Fe2 Ni1 Sn1'
_cell_volume   54.27
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.96  0.76  1.0
  Ni  Ni2  1  0.0  0.0  0.53  1.0
  Sn  Sn3  1  0.96  0.0  0.76  1.0

data_Fe2NiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.49
_cell_angle_alpha   115.91
_cell_angle_beta   115.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiSn
_chemical_formula_sum   'Fe2 Ni1 Sn1'
_cell_volume   54.27
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.2  0.96  0.2  1.0
  Ni  Ni2  1  0.47  0.0  0.47  1.0
  Sn  Sn3  1  0.24  0.0  0.2  1.0

Fe Fe Ni Sn