data_ZrB2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrB2Sb
_chemical_formula_sum   'Zr1 B2 Sb1'
_cell_volume   58.85
_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  0.0  0.0  0.11  1.0
  B  B0  1  0.2  0.0  0.57  1.0
  B  B1  1  0.0  0.0  0.78  1.0
  Sb  Sb2  1  0.2  0.0  0.3  1.0

data_ZrB2Sb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrB2Sb
_chemical_formula_sum   'Zr1 B2 Sb1'
_cell_volume   58.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Zr0  1  0.0  0.0  0.11  1.0
  B  B1  1  0.0  0.0  0.78  1.0
  B  B2  1  0.2  0.0  0.57  1.0
  Sb  Sb3  1  0.2  0.0  0.3  1.0

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