data_Ba2CoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   5.19
_cell_angle_alpha   92.45
_cell_angle_beta   92.45
_cell_angle_gamma   35.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoCl
_chemical_formula_sum   'Ba2 Co1 Cl1'
_cell_volume   123.23
_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  0.03  0.0  0.56  1.0
  Ba  Ba1  1  0.09  0.0  0.85  1.0
  Co  Co3  1  0.85  0.0  0.55  1.0
  Cl  Cl2  1  0.09  0.0  0.0  1.0

data_Ba2CoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.19
_cell_length_c   6.43
_cell_angle_alpha   92.45
_cell_angle_beta   107.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoCl
_chemical_formula_sum   'Ba2 Co1 Cl1'
_cell_volume   123.23
_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  0.56  0.03  1.0
  Ba  Ba1  1  0.0  0.85  0.09  1.0
  Co  Co2  1  0.0  0.55  0.85  1.0
  Cl  Cl3  1  0.0  0.0  0.09  1.0

Ba Ba Co Cl