data_KTaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   154.83
_cell_angle_beta   148.47
_cell_angle_gamma   40.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaCo
_chemical_formula_sum   'K1 Ta1 Co1'
_cell_volume   74.44
_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  K1  1  0.0  0.0  0.7  1.0
  Ta  Ta2  1  0.0  0.0  0.33  1.0
  Co  Co0  1  0.0  0.0  0.02  1.0

data_KTaCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.78
_cell_length_c   6.95
_cell_angle_alpha   105.77
_cell_angle_beta   102.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaCo
_chemical_formula_sum   'K1 Ta1 Co1'
_cell_volume   74.44
_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  K0  1  0.3  0.3  0.3  1.0
  Ta  Ta1  1  0.67  0.67  0.67  1.0
  Co  Co2  1  0.98  0.98  0.98  1.0

K Ta Co
K Ta Co 0 1 o o o 0 2 o o + 1 2 o o o 