data_ZrFe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   141.67
_cell_angle_beta   130.66
_cell_angle_gamma   64.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Sb
_chemical_formula_sum   'Zr1 Fe2 Sb1'
_cell_volume   66.49
_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  0.68  1.0
  Fe  Fe0  1  0.72  0.0  0.21  1.0
  Fe  Fe1  1  0.0  0.0  0.13  1.0
  Sb  Sb2  1  0.72  0.0  0.28  1.0

data_ZrFe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.37
_cell_length_c   5.23
_cell_angle_alpha   114.67
_cell_angle_beta   109.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Sb
_chemical_formula_sum   'Zr1 Fe2 Sb1'
_cell_volume   66.49
_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  0.68  0.68  1.0
  Fe  Fe1  1  0.0  0.13  0.13  1.0
  Fe  Fe2  1  0.0  0.21  0.49  1.0
  Sb  Sb3  1  0.0  0.28  0.57  1.0

Zr Fe Fe Sb