data_ZrBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   140.88
_cell_angle_beta   132.96
_cell_angle_gamma   62.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Sb
_chemical_formula_sum   'Zr1 Bi2 Sb1'
_cell_volume   108.52
_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  0.0  1.0
  Bi  Bi0  1  0.07  0.0  0.7  1.0
  Bi  Bi1  1  0.0  0.47  0.59  1.0
  Sb  Sb2  1  0.0  0.0  0.29  1.0

data_ZrBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.95
_cell_length_c   6.2
_cell_angle_alpha   113.52
_cell_angle_beta   109.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Sb
_chemical_formula_sum   'Zr1 Bi2 Sb1'
_cell_volume   108.52
_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
  Bi  Bi1  1  0.38  0.3  0.38  1.0
  Bi  Bi2  1  0.41  0.88  0.88  1.0
  Sb  Sb3  1  0.71  0.71  0.71  1.0

Zr Bi Bi Sb
Zr Bi Bi Sb 0 2 o - - 0 2 o o o 0 1 o o - 0 3 o o o 1 3 o o o 2 3 o o o 