data_[Zn10Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9436]
_cell_length_b [2.6819]
_cell_length_c [6.5115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn5Fe]
_chemical_formula_sum '[Zn10 Fe2]'
_cell_volume [167.9467]
_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
[
  Zn  Zn0  2  0.0550  0.0000  0.6228  1.0
  Zn  Zn1  2  0.1636  0.5000  0.3278  1.0
  Zn  Zn2  2  0.2201  0.5000  0.9511  1.0
  Zn  Zn3  2  0.3354  0.0000  0.6726  1.0
  Zn  Zn4  2  0.3952  0.0000  0.2662  1.0
  Fe  Fe5  2  0.4972  0.5000  0.9928  1.0
]