data_FeCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   3.06
_cell_angle_alpha   93.75
_cell_angle_beta   93.75
_cell_angle_gamma   97.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuSn2
_chemical_formula_sum   'Fe1 Cu1 Sn2'
_cell_volume   71.76
_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  Fe1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.21  0.0  0.0  1.0
  Sn  Sn2  1  0.45  0.16  0.52  1.0
  Sn  Sn3  1  0.45  0.84  0.52  1.0

data_FeCuSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   97.66
_cell_angle_beta   93.75
_cell_angle_gamma   93.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuSn2
_chemical_formula_sum   'Fe1 Cu1 Sn2'
_cell_volume   71.76
_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
  Cu  Cu1  1  0.0  0.21  0.0  1.0
  Sn  Sn2  1  0.52  0.45  0.16  1.0
  Sn  Sn3  1  0.52  0.45  0.84  1.0

Fe Cu Sn Sn