data_CoBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   4.08
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   115.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2Sb
_chemical_formula_sum   'Co1 Bi2 Sb1'
_cell_volume   104.14
_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
  Co  Co2  1  0.55  0.0  0.06  1.0
  Bi  Bi0  1  1.0  0.0  0.02  1.0
  Bi  Bi1  1  0.1  0.04  0.32  1.0
  Sb  Sb3  1  0.64  0.04  0.6  1.0

data_CoBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.11
_cell_length_c   5.53
_cell_angle_alpha   115.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2Sb
_chemical_formula_sum   'Co1 Bi2 Sb1'
_cell_volume   104.14
_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
  Co  Co0  1  0.0  0.45  0.94  1.0
  Bi  Bi1  1  0.0  0.0  0.98  1.0
  Bi  Bi2  1  0.96  0.9  0.68  1.0
  Sb  Sb3  1  0.96  0.36  0.4  1.0

Co Bi Bi Sb
Co Bi Bi Sb 0 1 - o o 0 1 o o o 0 3 o o - 0 3 o o o 0 2 + o o 1 2 + o o 1 3 o o - 2 3 o o o 