data_[Mn2Zn8Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4066]
_cell_length_b [2.7275]
_cell_length_c [8.5240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnZn4Cu]
_chemical_formula_sum '[Mn2 Zn8 Cu2]'
_cell_volume [175.5718]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Zn  Zn1  4  0.1563  0.0000  0.3378  1
  Zn  Zn2  4  0.1580  0.5000  0.8448  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
]