data_FeCu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52
_cell_length_b   2.52
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu2Si
_chemical_formula_sum   'Fe1 Cu2 Si1'
_cell_volume   48.91
_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  Fe2  1  0.0  0.0  0.09  1.0
  Cu  Cu0  1  0.46  0.0  0.04  1.0
  Cu  Cu1  1  0.46  0.0  0.13  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_FeCu2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   2.52
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu2Si
_chemical_formula_sum   'Fe1 Cu2 Si1'
_cell_volume   48.91
_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  0.09  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.46  0.0  0.04  1.0
  Cu  Cu3  1  0.46  0.0  0.13  1.0

Fe Cu Cu Si