data_In2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.13
_cell_angle_alpha   99.38
_cell_angle_beta   99.38
_cell_angle_gamma   35.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeSi
_chemical_formula_sum   'In2 Fe1 Si1'
_cell_volume   75.55
_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
  In  In1  1  0.16  0.0  0.31  1.0
  In  In2  1  0.67  0.0  0.75  1.0
  Fe  Fe0  1  0.41  0.0  0.53  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_In2FeSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.09
_cell_length_c   5.13
_cell_angle_alpha   99.38
_cell_angle_beta   90.0
_cell_angle_gamma   107.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeSi
_chemical_formula_sum   'In2 Fe1 Si1'
_cell_volume   75.55
_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
  In  In0  1  0.0  0.33  0.25  1.0
  In  In1  1  0.0  0.84  0.69  1.0
  Fe  Fe2  1  0.0  0.59  0.47  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

In In Fe Si