data_NaZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   41.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnB2
_chemical_formula_sum   'Na1 Zn1 B2'
_cell_volume   59.4
_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
  Na  Na2  1  0.0  0.0  0.82  1.0
  Zn  Zn3  1  0.57  0.0  0.66  1.0
  B  B0  1  0.0  0.0  0.81  1.0
  B  B1  1  0.57  0.0  0.65  1.0

data_NaZnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.79
_cell_length_c   5.34
_cell_angle_alpha   110.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnB2
_chemical_formula_sum   'Na1 Zn1 B2'
_cell_volume   59.4
_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
  Na  Na0  1  0.0  0.82  0.82  1.0
  Zn  Zn1  1  0.43  0.66  0.66  1.0
  B  B2  1  0.0  0.81  0.81  1.0
  B  B3  1  0.43  0.65  0.65  1.0

Na Zn B B
Na Zn B B 0 2 o o o 1 3 o o o 