data_[Sr12Al4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4188]
_cell_length_b [10.0826]
_cell_length_c [8.0978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3AlZn]
_chemical_formula_sum '[Sr12 Al4 Zn4]'
_cell_volume [741.8470]
_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
[
  Sr  Sr0  8  0.2318  0.1968  0.2214  1
  Sr  Sr1  4  0.0453  0.5000  0.2607  1
  Al  Al2  4  0.0835  0.0000  0.4264  1
  Zn  Zn3  4  0.2014  0.0000  0.8415  1
]