data_Zr2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   4.63
_cell_angle_alpha   108.3
_cell_angle_beta   108.3
_cell_angle_gamma   38.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BSb
_chemical_formula_sum   'Zr2 B1 Sb1'
_cell_volume   81.18
_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  Zr2  1  0.78  0.0  0.32  1.0
  Zr  Zr3  1  0.24  0.0  0.79  1.0
  B  B0  1  0.62  0.0  0.06  1.0
  Sb  Sb1  1  0.46  0.0  0.74  1.0

data_Zr2BSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.63
_cell_length_c   5.49
_cell_angle_alpha   108.3
_cell_angle_beta   109.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BSb
_chemical_formula_sum   'Zr2 B1 Sb1'
_cell_volume   81.18
_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  Zr0  1  0.0  0.32  0.78  1.0
  Zr  Zr1  1  0.0  0.79  0.24  1.0
  B  B2  1  0.0  0.06  0.62  1.0
  Sb  Sb3  1  0.0  0.74  0.46  1.0

Zr Zr B Sb