data_KCo2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   122.41
_cell_angle_beta   122.41
_cell_angle_gamma   85.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Ni
_chemical_formula_sum   'K1 Co2 Ni1'
_cell_volume   61.42
_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
  Co  Co0  1  0.0  0.0  0.29  1.0
  Co  Co1  1  0.0  0.16  0.64  1.0
  Ni  Ni3  1  0.16  0.0  0.64  1.0

data_KCo2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.49
_cell_angle_alpha   118.8
_cell_angle_beta   118.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Ni
_chemical_formula_sum   'K1 Co2 Ni1'
_cell_volume   61.42
_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
  Co  Co1  1  0.29  0.29  0.29  1.0
  Co  Co2  1  0.48  0.64  0.48  1.0
  Ni  Ni3  1  0.64  0.48  0.48  1.0

K Co Co Ni