data_[Zn8Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5048]
_cell_length_b [4.5048]
_cell_length_c [11.9216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [ZnMo]
_chemical_formula_sum '[Zn8 Mo8]'
_cell_volume [241.9253]
_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
[
  Zn  Zn0  4  0.0000  0.0000  0.3794  1
  Zn  Zn1  4  0.0000  0.5000  0.0000  1
  Mo  Mo2  4  0.0000  0.0000  0.1311  1
  Mo  Mo3  4  0.0000  0.5000  0.2500  1
]