data_K3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.0
_cell_length_b   7.4
_cell_length_c   11.34
_cell_angle_alpha   60.26
_cell_angle_beta   39.94
_cell_angle_gamma   79.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Ni2
_chemical_formula_sum   'K6 Ni4'
_cell_volume   435.55
_cell_formula_units_Z   2
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  0.62  0.16  0.73  1.0
  K  K1  1  0.28  0.49  0.73  1.0
  K  K2  1  0.85  0.15  0.54  1.0
  K  K3  1  0.5  0.83  0.54  1.0
  K  K4  1  0.45  0.33  0.2  1.0
  K  K5  1  0.23  0.66  0.77  1.0
  Ni  Ni6  1  0.8  0.32  0.53  1.0
  Ni  Ni7  1  0.1  0.34  0.53  1.0
  Ni  Ni8  1  0.58  1.0  0.72  1.0
  Ni  Ni9  1  0.32  0.65  0.72  1.0

data_K3Ni2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.24
_cell_length_b   7.4
_cell_length_c   10.0
_cell_angle_alpha   79.8
_cell_angle_beta   68.79
_cell_angle_gamma   60.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Ni2
_chemical_formula_sum   'K6 Ni4'
_cell_volume   435.55
_cell_formula_units_Z   2
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  0.5  0.78  0.99  1.0
  K  K1  1  0.52  0.1  0.64  1.0
  K  K2  1  0.54  0.3  0.61  1.0
  K  K3  1  0.66  0.57  0.01  1.0
  K  K4  1  0.87  0.63  0.95  1.0
  K  K5  1  0.98  0.48  0.35  1.0
  Ni  Ni6  1  0.29  0.28  0.71  1.0
  Ni  Ni7  1  0.65  0.16  0.67  1.0
  Ni  Ni8  1  0.69  0.63  0.96  1.0
  Ni  Ni9  1  0.96  0.14  0.38  1.0

K K K K K K Ni Ni Ni Ni
K K K K K K Ni Ni Ni Ni 0 2 o o o 0 8 o - o 0 6 o o o 1 9 o o o 1 5 o o o 2 6 o o o 2 7 + o o 2 8 o - o 3 9 o o o 4 7 o o o 5 9 o o o 6 7 + o o 