data_AlZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   4.93
_cell_angle_alpha   103.74
_cell_angle_beta   103.74
_cell_angle_gamma   44.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnB2
_chemical_formula_sum   'Al1 Zn1 B2'
_cell_volume   44.44
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.74  0.0  0.38  1.0
  B  B1  1  0.73  0.0  0.6  1.0
  B  B2  1  0.76  0.0  0.16  1.0

data_AlZnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.65
_cell_length_c   4.93
_cell_angle_alpha   103.74
_cell_angle_beta   90.0
_cell_angle_gamma   112.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnB2
_chemical_formula_sum   'Al1 Zn1 B2'
_cell_volume   44.44
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.26  0.62  1.0
  B  B2  1  0.0  0.24  0.84  1.0
  B  B3  1  0.0  0.27  0.4  1.0

Al Zn B B