data_[Zr16Fe2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6367]
_cell_length_b [5.0111]
_cell_length_c [6.0713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr8FeSn2]
_chemical_formula_sum '[Zr16 Fe2 Sn4]'
_cell_volume [484.8204]
_cell_formula_units_Z [2]
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
[
  Zr  Zr0  4  0.0122  0.0000  0.2512  1
  Zr  Zr1  4  0.0912  0.5000  0.7607  1
  Zr  Zr2  4  0.1378  0.5000  0.3069  1
  Zr  Zr3  4  0.2197  0.0000  0.1332  1
  Fe  Fe4  2  0.0000  0.5000  0.0000  1
  Sn  Sn5  4  0.1723  0.0000  0.6221  1
]