data_[Zn8Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1112]
_cell_length_b [2.9394]
_cell_length_c [6.4819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2Cr]
_chemical_formula_sum '[Zn8 Cr4]'
_cell_volume [163.9013]
_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
[
  Zn  Zn0  4  0.0120  0.5000  0.2433  1
  Zn  Zn1  4  0.1684  0.0000  0.6012  1
  Cr  Cr2  4  0.1822  0.0000  0.0581  1
]