data_[Mn2Zn2Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1592]
_cell_length_b [3.5085]
_cell_length_c [5.1606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnZnNi4]
_chemical_formula_sum '[Mn2 Zn2 Ni8]'
_cell_volume [139.1147]
_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  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  4  0.1670  0.0000  0.8306  1.0
  Ni  Ni3  4  0.1679  0.0000  0.3344  1.0
]