data_ZrBiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.57
_cell_angle_alpha   97.37
_cell_angle_beta   97.37
_cell_angle_gamma   32.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiSb2
_chemical_formula_sum   'Zr1 Bi1 Sb2'
_cell_volume   106.28
_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  0.37  0.0  0.82  1.0
  Bi  Bi0  1  0.68  0.0  0.44  1.0
  Sb  Sb1  1  0.02  0.0  0.02  1.0
  Sb  Sb2  1  1.0  0.0  0.01  1.0

data_ZrBiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.57
_cell_length_c   5.97
_cell_angle_alpha   97.37
_cell_angle_beta   106.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiSb2
_chemical_formula_sum   'Zr1 Bi1 Sb2'
_cell_volume   106.28
_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  0.82  0.37  1.0
  Bi  Bi1  1  0.0  0.44  0.68  1.0
  Sb  Sb2  1  0.0  0.01  1.0  1.0
  Sb  Sb3  1  0.0  0.02  0.02  1.0

Zr Bi Sb Sb