data_BaCoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   31.21
_cell_angle_beta   31.21
_cell_angle_gamma   31.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoCl2
_chemical_formula_sum   'Ba1 Co1 Cl2'
_cell_volume   105.64
_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
  Ba  Ba0  1  0.0  0.0  0.56  1.0
  Co  Co3  1  0.0  0.0  0.52  1.0
  Cl  Cl1  1  0.0  0.0  0.18  1.0
  Cl  Cl2  1  0.0  0.0  0.36  1.0

data_BaCoCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.11
_cell_length_b   4.1
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   108.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCoCl2
_chemical_formula_sum   'Ba2 Co2 Cl4'
_cell_volume   211.29
_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
  Ba  Ba0  2  -0.0  0.0  0.44  1.0
  Co  Co1  2  -0.0  0.0  0.48  1.0
  Cl  Cl2  2  -0.0  0.0  0.82  1.0
  Cl  Cl3  2  0.0  0.0  0.64  1.0

Ba Co Cl Cl
Ba Co Cl Cl 0 1 o o o 1 3 o o o 2 3 o o o 