data_[Y2Mn12Al12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9427]
_cell_length_b [8.6298]
_cell_length_c [8.7730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y(MnAl)6]
_chemical_formula_sum '[Y2 Mn12 Al12]'
_cell_volume [374.2093]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  8  0.2500  0.2500  0.2500  1.0
  Mn  Mn2  4  0.0000  0.2621  0.5000  1.0
  Al  Al3  4  0.0000  0.0000  0.3465  1.0
  Al  Al4  4  0.0000  0.3381  0.0000  1.0
  Al  Al5  4  0.0000  0.5000  0.3031  1.0
]