data_[Zr16Zn24In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.5094]
_cell_length_b [8.9479]
_cell_length_c [15.4594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Zr2Zn3In]
_chemical_formula_sum '[Zr16 Zn24 In8]'
_cell_volume [900.4386]
_cell_formula_units_Z [8]
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  8  0.2439  0.0000  0.0000  1.0
  Zr  Zr1  8  0.2500  0.2500  0.2500  1.0
  Zn  Zn2  16  0.0000  0.2430  0.0807  1.0
  Zn  Zn3  8  0.0000  0.0000  0.1620  1.0
  In  In4  8  0.0000  0.0000  0.3341  1.0
]