data_[Mn8Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.3381]
_cell_length_b [10.6574]
_cell_length_c [4.5209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [MnZn]
_chemical_formula_sum '[Mn8 Zn8]'
_cell_volume [209.0172]
_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
[
  Mn  Mn0  4  0.0000  0.1169  0.6871  1
  Mn  Mn1  2  0.0000  0.0000  0.1737  1
  Mn  Mn2  2  0.0000  0.5000  0.1902  1
  Zn  Zn3  4  0.0000  0.2487  0.1863  1
  Zn  Zn4  4  0.0000  0.3770  0.6802  1
]