data_[Al2Zn2B2]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0029]
_cell_length_b [3.6252]
_cell_length_c [7.2556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlZnB]
_chemical_formula_sum '[Al2 Zn2 B2]'
_cell_volume [78.9462]
_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  1  0.1984  0.5000  0.4101  1
  Al  Al1  1  0.7125  0.0000  0.8161  1
  Zn  Zn2  1  0.1749  0.5000  0.0158  1
  Zn  Zn3  1  0.6820  0.0000  0.1863  1
  B  B4  1  0.2075  0.0000  0.5970  1
  B  B5  1  0.6993  0.0000  0.4945  1
]