data_[Mn2Al4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7377]
_cell_length_b [2.7824]
_cell_length_c [4.6051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnAl2Zn]
_chemical_formula_sum '[Mn2 Al4 Zn2]'
_cell_volume [113.1178]
_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  0.0008  0.5000  0.4140  1.0
  Al  Al1  2  0.2611  0.5000  0.3361  1.0
  Al  Al2  2  0.4980  0.5000  0.9322  1.0
  Zn  Zn3  2  0.2400  0.0000  0.8177  1.0
]