data_LiZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   4.29
_cell_angle_alpha   113.25
_cell_angle_beta   113.25
_cell_angle_gamma   46.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnB2
_chemical_formula_sum   'Li1 Zn1 B2'
_cell_volume   43.62
_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
  Li  Li2  1  0.66  0.0  0.69  1.0
  Zn  Zn3  1  0.48  0.0  0.12  1.0
  B  B0  1  0.57  0.0  0.74  1.0
  B  B1  1  0.42  0.0  0.27  1.0

data_LiZnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.95
_cell_length_c   4.29
_cell_angle_alpha   113.25
_cell_angle_beta   90.0
_cell_angle_gamma   113.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnB2
_chemical_formula_sum   'Li1 Zn1 B2'
_cell_volume   43.62
_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
  Li  Li0  1  0.0  0.34  0.31  1.0
  Zn  Zn1  1  0.0  0.52  0.88  1.0
  B  B2  1  0.0  0.43  0.26  1.0
  B  B3  1  0.0  0.58  0.73  1.0

Li Zn B B