data_KCa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.59
_cell_angle_alpha   102.3
_cell_angle_beta   102.3
_cell_angle_gamma   43.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2Co
_chemical_formula_sum   'K1 Ca2 Co1'
_cell_volume   119.72
_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
  Ca  Ca0  1  0.15  0.0  0.5  1.0
  Ca  Ca1  1  0.05  0.0  0.91  1.0
  Co  Co2  1  0.1  0.0  0.21  1.0

data_KCa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   5.22
_cell_length_c   6.59
_cell_angle_alpha   102.3
_cell_angle_beta   90.0
_cell_angle_gamma   111.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2Co
_chemical_formula_sum   'K1 Ca2 Co1'
_cell_volume   119.72
_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
  Ca  Ca1  1  0.0  0.85  0.5  1.0
  Ca  Ca2  1  0.0  0.95  0.09  1.0
  Co  Co3  1  0.0  0.9  0.79  1.0

K Ca Ca Co