data_[Al10Zn14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [12.3402]
_cell_length_b [2.8189]
_cell_length_c [11.4183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al5Zn7]
_chemical_formula_sum '[Al10 Zn14]'
_cell_volume [397.1864]
_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
[
  Al  Al0  4  0.1435  0.5000  0.8519  1.0
  Al  Al1  4  0.1817  0.0000  0.4076  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  4  0.0385  0.0000  0.2417  1.0
  Zn  Zn4  4  0.1413  0.0000  0.6434  1.0
  Zn  Zn5  4  0.1752  0.5000  0.1062  1.0
  Zn  Zn6  2  0.0000  0.5000  0.5000  1.0
]