data_[Mn10Al2]
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 [C2/m]
_cell_length_a [9.1697]
_cell_length_b [2.8333]
_cell_length_c [5.5892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn5Al]
_chemical_formula_sum '[Mn10 Al2]'
_cell_volume [138.7247]
_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  4  0.1754  0.5000  0.3440  1.0
  Mn  Mn1  4  0.1769  0.5000  0.8374  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
]