data_BaCo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   8.37
_cell_length_c   8.37
_cell_angle_alpha   23.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo5
_chemical_formula_sum   'Ba1 Co5'
_cell_volume   100.21
_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  0.78  0.0  0.18  1.0
  Co  Co1  1  0.78  0.0  0.58  1.0
  Co  Co2  1  0.78  0.0  0.21  1.0
  Co  Co3  1  0.0  0.0  0.15  1.0
  Co  Co4  1  0.0  0.0  0.48  1.0
  Co  Co5  1  0.0  0.0  0.46  1.0

data_BaCo5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.56
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   101.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo5
_chemical_formula_sum   'Ba1 Co5'
_cell_volume   100.21
_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  0.82  0.78  0.82  1.0
  Co  Co1  1  0.42  0.78  0.42  1.0
  Co  Co2  1  0.52  0.0  0.52  1.0
  Co  Co3  1  0.54  0.0  0.54  1.0
  Co  Co4  1  0.79  0.78  0.79  1.0
  Co  Co5  1  0.85  0.0  0.85  1.0

Ba Co Co Co Co Co