data_BaZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   120.7
_cell_angle_beta   120.7
_cell_angle_gamma   88.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnB2
_chemical_formula_sum   'Ba1 Zn1 B2'
_cell_volume   75.5
_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
  Ba  Ba2  1  0.36  0.0  0.7  1.0
  Zn  Zn3  1  0.0  0.0  0.4  1.0
  B  B0  1  0.0  0.36  0.7  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_BaZnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.76
_cell_angle_alpha   119.65
_cell_angle_beta   119.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnB2
_chemical_formula_sum   'Ba1 Zn1 B2'
_cell_volume   75.5
_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
  Ba  Ba0  1  0.3  0.0  0.65  1.0
  Zn  Zn1  1  0.6  0.0  0.6  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.65  0.36  0.65  1.0

Ba Zn B B