data_ZrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   141.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSb
_chemical_formula_sum   'Zr2 Sb2'
_cell_volume   95.82
_cell_formula_units_Z   2
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  0.86  0.95  0.68  1.0
  Zr  Zr3  1  0.86  0.05  0.23  1.0
  Sb  Sb0  1  0.86  0.89  0.68  1.0
  Sb  Sb1  1  0.86  0.11  0.23  1.0

data_ZrSb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.71
_cell_length_b   4.91
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   109.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrSb
_chemical_formula_sum   'Zr2 Sb2'
_cell_volume   95.82
_cell_formula_units_Z   2
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  2  0.05  0.73  0.05  1.0
  Sb  Sb1  2  0.11  0.73  0.11  1.0

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