data_ZrNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.03
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   92.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiSb2
_chemical_formula_sum   'Zr1 Ni1 Sb2'
_cell_volume   84.73
_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  0.56  0.0  0.08  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.26  0.02  0.53  1.0
  Sb  Sb2  1  0.87  0.02  0.62  1.0

data_ZrNiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.03
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   92.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiSb2
_chemical_formula_sum   'Zr1 Ni1 Sb2'
_cell_volume   84.73
_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  0.56  0.0  0.08  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.26  0.02  0.53  1.0
  Sb  Sb3  1  0.87  0.02  0.62  1.0

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