data_Zr2NbSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   136.25
_cell_angle_beta   136.25
_cell_angle_gamma   63.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbSb
_chemical_formula_sum   'Zr2 Nb1 Sb1'
_cell_volume   85.49
_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  Zr2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.11  0.0  0.4  1.0
  Nb  Nb0  1  0.0  0.0  0.81  1.0
  Sb  Sb1  1  0.0  0.11  0.4  1.0

data_Zr2NbSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.66
_cell_angle_alpha   111.88
_cell_angle_beta   111.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbSb
_chemical_formula_sum   'Zr2 Nb1 Sb1'
_cell_volume   85.49
_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  0.0  0.0  1.0
  Zr  Zr1  1  0.4  0.3  0.3  1.0
  Nb  Nb2  1  0.81  0.81  0.81  1.0
  Sb  Sb3  1  0.3  0.4  0.3  1.0

Zr Zr Nb Sb