data_[Sr2Zr2Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4781]
_cell_length_b [3.0221]
_cell_length_c [5.6302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrZrAl2]
_chemical_formula_sum '[Sr2 Zr2 Al4]'
_cell_volume [186.8653]
_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
[
  Sr  Sr0  2  0.4773  0.0000  0.4438  1
  Zr  Zr1  2  0.2756  0.0000  0.8228  1
  Al  Al2  2  0.0284  0.0000  0.9596  1
  Al  Al3  2  0.2187  0.5000  0.2738  1
]