data_[Y4Mn4Al12]
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 [Pnma]
_cell_length_a [8.3820]
_cell_length_b [4.0339]
_cell_length_c [10.8920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YMnAl3]
_chemical_formula_sum '[Y4 Mn4 Al12]'
_cell_volume [368.2854]
_cell_formula_units_Z [4]
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  4  0.1929  0.2500  0.0133  1.0
  Mn  Mn1  4  0.1275  0.2500  0.3611  1.0
  Al  Al2  4  0.0484  0.2500  0.5857  1.0
  Al  Al3  4  0.1008  0.7500  0.7788  1.0
  Al  Al4  4  0.1549  0.7500  0.2247  1.0
]