data_LaZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   41.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZnB2
_chemical_formula_sum   'La1 Zn1 B2'
_cell_volume   62.48
_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
  La  La2  1  0.6  0.0  0.82  1.0
  Zn  Zn3  1  0.0  0.0  0.85  1.0
  B  B0  1  0.6  0.0  1.0  1.0
  B  B1  1  0.0  0.0  0.74  1.0

data_LaZnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.83
_cell_length_c   5.44
_cell_angle_alpha   110.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZnB2
_chemical_formula_sum   'La1 Zn1 B2'
_cell_volume   62.48
_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
  La  La0  1  0.4  0.82  0.82  1.0
  Zn  Zn1  1  0.0  0.85  0.85  1.0
  B  B2  1  0.0  0.74  0.74  1.0
  B  B3  1  0.4  1.0  1.0  1.0

La Zn B B