data_KGaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.59
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   35.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaCo2
_chemical_formula_sum   'K1 Ga1 Co2'
_cell_volume   79.03
_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
  Ga  Ga2  1  0.83  0.0  0.25  1.0
  Co  Co0  1  0.19  0.0  0.04  1.0
  Co  Co1  1  0.46  0.0  0.45  1.0

data_KGaCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.61
_cell_length_c   6.59
_cell_angle_alpha   99.44
_cell_angle_beta   90.0
_cell_angle_gamma   107.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaCo2
_chemical_formula_sum   'K1 Ga1 Co2'
_cell_volume   79.03
_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
  Ga  Ga1  1  0.0  0.17  0.75  1.0
  Co  Co2  1  0.0  0.54  0.55  1.0
  Co  Co3  1  0.0  0.81  0.96  1.0

K Ga Co Co