data_[Mn8Al8]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [2.8994]
_cell_length_b [4.1482]
_cell_length_c [16.8162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MnAl]
_chemical_formula_sum '[Mn8 Al8]'
_cell_volume [202.2535]
_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  0.2500  0.3051  1.0
  Mn  Mn1  4  0.0000  0.2500  0.5560  1.0
  Al  Al2  4  0.0000  0.2500  0.0697  1.0
  Al  Al3  4  0.0000  0.2500  0.8181  1.0
]