data_ZrBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBSb2
_chemical_formula_sum   'Zr1 B1 Sb2'
_cell_volume   96.71
_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
  Zr  Zr3  1  0.67  0.67  0.3  1.0
  B  B0  1  0.0  0.0  0.24  1.0
  Sb  Sb1  1  0.67  0.67  0.29  1.0
  Sb  Sb2  1  0.0  0.0  0.94  1.0

data_ZrBSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBSb2
_chemical_formula_sum   'Zr2 B2 Sb4'
_cell_volume   193.42
_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
  Zr  Zr0  2  0.17  0.5  0.3  1.0
  B  B1  2  0.0  0.0  0.24  1.0
  Sb  Sb2  2  0.0  0.0  0.94  1.0
  Sb  Sb3  2  0.17  0.5  0.29  1.0

Zr B Sb Sb
Zr B Sb Sb 0 2 o o o 0 1 + + o 0 3 + + - 1 2 - - o 1 3 o o - 2 3 + + - 3 3 + o o 3 3 o + o 