data_CoBiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.41
_cell_length_c   3.48
_cell_angle_alpha   83.77
_cell_angle_beta   70.02
_cell_angle_gamma   26.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBiCl
_chemical_formula_sum   'Co1 Bi1 Cl1'
_cell_volume   73.86
_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  0.67  0.06  0.85  1.0
  Bi  Bi0  1  0.67  0.06  0.46  1.0
  Cl  Cl1  1  0.67  0.06  0.14  1.0

data_CoBiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.35
_cell_length_b   14.45
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   118.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoBiCl
_chemical_formula_sum   'Co2 Bi2 Cl2'
_cell_volume   147.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.06  0.0  0.48  1.0
  Bi  Bi1  2  0.06  0.0  0.87  1.0
  Cl  Cl2  2  0.06  0.0  0.19  1.0

Co Bi Cl
Co Bi Cl 0 2 o o + 1 2 o o o 