data_Ba2CoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.72
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoB
_chemical_formula_sum   'Ba2 Co1 B1'
_cell_volume   104.08
_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  Ba1  1  0.92  0.86  0.79  1.0
  Ba  Ba2  1  0.77  0.86  0.62  1.0
  Co  Co3  1  0.95  0.0  0.7  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Ba2CoB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.78
_cell_length_c   7.4
_cell_angle_alpha   90.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoB
_chemical_formula_sum   'Ba2 Co1 B1'
_cell_volume   104.08
_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  0.14  0.08  0.21  1.0
  Ba  Ba1  1  0.14  0.23  0.38  1.0
  Co  Co2  1  0.0  0.05  0.3  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ba Ba Co B
Ba Ba Co B 0 2 o + o 0 3 + + + 1 2 o + o 