data_KBa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   94.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBa2Co
_chemical_formula_sum   'K1 Ba2 Co1'
_cell_volume   165.62
_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
  K  K3  1  0.0  0.0  0.0  1.0
  Ba  Ba0  1  0.11  0.99  0.48  1.0
  Ba  Ba1  1  0.03  0.99  0.97  1.0
  Co  Co2  1  0.58  0.0  0.22  1.0

data_KBa2Co
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   94.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KBa2Co
_chemical_formula_sum   'K1 Ba2 Co1'
_cell_volume   165.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  K  K0  1  0.0  0.0  0.0  1.0
  Ba  Ba1  1  0.03  0.0  0.97  1.0
  Ba  Ba2  1  0.11  0.0  0.48  1.0
  Co  Co3  1  0.58  0.0  0.22  1.0

K Ba Ba Co
K Ba Ba Co 0 2 o - - 0 3 o o o 0 3 - o o 1 3 - + o 1 3 o + o 1 1 + o o 1 1 o + o 2 3 o + + 2 3 - + + 