data_[Mn2Al16Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7554]
_cell_length_b [4.1941]
_cell_length_c [4.7548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(Al4Co)2]
_chemical_formula_sum '[Mn2 Al16 Co4]'
_cell_volume [326.3732]
_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  0.0000  1
  Al  Al1  4  0.0588  0.0000  0.8707  1
  Al  Al2  4  0.0801  0.5000  0.5052  1
  Al  Al3  4  0.1536  0.5000  0.0512  1
  Al  Al4  4  0.2428  0.0000  0.3377  1
  Co  Co5  4  0.1993  0.0000  0.8162  1
]