data_ZnBiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   122.52
_cell_angle_beta   122.52
_cell_angle_gamma   85.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBiB2
_chemical_formula_sum   'Zn1 Bi1 B2'
_cell_volume   62.17
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.31  1.0
  B  B0  1  0.17  0.0  0.65  1.0
  B  B1  1  0.0  0.17  0.65  1.0

data_ZnBiB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   132.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnBiB2
_chemical_formula_sum   'Zn2 Bi2 B4'
_cell_volume   124.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.19  0.5  0.69  1.0
  B  B2  4  0.43  0.08  0.51  1.0

Zn Bi B B