data_[Y2Mg2Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4708]
_cell_length_b [3.4346]
_cell_length_c [11.4965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YMgAl2]
_chemical_formula_sum '[Y2 Mg2 Al4]'
_cell_volume [176.5300]
_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  0.5000  0.0000  0.5859  1
  Mg  Mg1  2  0.0000  0.0000  0.9094  1
  Al  Al2  2  0.0000  0.0000  0.1859  1
  Al  Al3  2  0.5000  0.0000  0.3194  1
]