data_K2FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2FeCo
_chemical_formula_sum   'K2 Fe1 Co1'
_cell_volume   89.94
_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  0.44  0.69  0.45  1.0
  K  K3  1  0.44  0.31  0.45  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.88  0.0  0.0  1.0

data_K2FeCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.77
_cell_length_c   6.11
_cell_angle_alpha   118.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2FeCo
_chemical_formula_sum   'K2 Fe1 Co1'
_cell_volume   89.94
_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  0.45  0.31  0.75  1.0
  K  K1  1  0.45  0.69  0.13  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.0  0.88  1.0

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