data_ZrFeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.38
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeSb2
_chemical_formula_sum   'Zr1 Fe1 Sb2'
_cell_volume   77.81
_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  0.61  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.6  0.69  0.54  1.0
  Sb  Sb2  1  0.6  0.69  0.68  1.0

data_ZrFeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.38
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeSb2
_chemical_formula_sum   'Zr1 Fe1 Sb2'
_cell_volume   77.81
_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  0.0  0.61  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.6  0.69  0.54  1.0
  Sb  Sb3  1  0.6  0.69  0.68  1.0

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