data_[Y2Al3Si1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8881]
_cell_length_b [4.3142]
_cell_length_c [7.4799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y2Al3Si]
_chemical_formula_sum '[Y2 Al3 Si1]'
_cell_volume [125.4692]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4911  1.0
  Y  Y1  1  0.0000  0.5000  0.0108  1.0
  Al  Al2  1  0.5000  0.0000  0.1704  1.0
  Al  Al3  1  0.5000  0.0000  0.8326  1.0
  Al  Al4  1  0.5000  0.5000  0.6614  1.0
  Si  Si5  1  0.5000  0.5000  0.3337  1.0
]