data_KCaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   145.61
_cell_angle_beta   135.93
_cell_angle_gamma   57.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaCo
_chemical_formula_sum   'K1 Ca1 Co1'
_cell_volume   83.38
_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  0.1  1.0
  Ca  Ca0  1  0.0  0.0  0.25  1.0
  Co  Co1  1  0.0  0.0  0.66  1.0

data_KCaCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.49
_cell_length_c   5.98
_cell_angle_alpha   112.04
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaCo
_chemical_formula_sum   'K1 Ca1 Co1'
_cell_volume   83.38
_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  0.9  0.9  0.9  1.0
  Ca  Ca1  1  0.75  0.75  0.75  1.0
  Co  Co2  1  0.34  0.34  0.34  1.0

K Ca Co