data_CoBrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   6.75
_cell_length_c   3.67
_cell_angle_alpha   83.39
_cell_angle_beta   66.65
_cell_angle_gamma   29.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBrCl
_chemical_formula_sum   'Co1 Br1 Cl1'
_cell_volume   71.95
_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  0.69  0.26  0.77  1.0
  Br  Br0  1  0.69  0.26  0.59  1.0
  Cl  Cl1  1  0.69  0.26  0.71  1.0

data_CoBrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.38
_cell_length_b   13.07
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   117.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoBrCl
_chemical_formula_sum   'Co2 Br2 Cl2'
_cell_volume   143.91
_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  0.26  0.0  0.54  1.0
  Br  Br1  2  0.26  0.0  0.72  1.0
  Cl  Cl2  2  0.26  0.0  0.6  1.0

Co Br Cl
Co Br Cl 0 2 o o o 1 2 o o o 