data_[Y1Zr2Al1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2626]
_cell_length_b [4.0465]
_cell_length_c [7.0513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [YZr2Al]
_chemical_formula_sum '[Y1 Zr2 Al1]'
_cell_volume [93.0938]
_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  0.5000  0.5000  0.7334  1
  Zr  Zr1  1  0.0000  0.0000  0.0272  1
  Zr  Zr2  1  0.5000  0.5000  0.2663  1
  Al  Al3  1  0.0000  0.0000  0.4731  1
]