data_[Zr4Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8289]
_cell_length_b [3.3662]
_cell_length_c [7.3238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrZn2]
_chemical_formula_sum '[Zr4 Zn8]'
_cell_volume [213.4413]
_cell_formula_units_Z [4]
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  0.0937  0.0000  0.3268  1.0
  Zn  Zn1  4  0.1378  0.5000  0.6800  1.0
  Zn  Zn2  4  0.1509  0.5000  0.0482  1.0
]