data_KTaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   144.08
_cell_angle_beta   124.66
_cell_angle_gamma   67.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaCo2
_chemical_formula_sum   'K1 Ta1 Co2'
_cell_volume   80.56
_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  K2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.59  1.0
  Co  Co0  1  0.71  0.0  0.13  1.0
  Co  Co1  1  0.0  0.57  0.46  1.0

data_KTaCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.14
_cell_length_c   5.53
_cell_angle_alpha   117.67
_cell_angle_beta   107.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaCo2
_chemical_formula_sum   'K1 Ta1 Co2'
_cell_volume   80.56
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.41  0.41  0.41  1.0
  Co  Co2  1  0.54  0.11  0.11  1.0
  Co  Co3  1  0.57  0.87  0.57  1.0

K Ta Co Co
K Ta Co Co 0 3 o o o 0 3 o - - 0 2 - o o 0 1 o o - 1 2 - o o 1 3 o - o 