data_KSiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   6.32
_cell_angle_alpha   106.9
_cell_angle_beta   106.9
_cell_angle_gamma   59.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSiNi2
_chemical_formula_sum   'K1 Si1 Ni2'
_cell_volume   82.61
_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  0.41  0.0  0.98  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.63  0.0  0.28  1.0
  Ni  Ni2  1  0.19  0.0  0.67  1.0

data_KSiNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.01
_cell_length_c   6.32
_cell_angle_alpha   106.9
_cell_angle_beta   90.0
_cell_angle_gamma   119.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSiNi2
_chemical_formula_sum   'K1 Si1 Ni2'
_cell_volume   82.61
_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  0.59  0.02  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.37  0.72  1.0
  Ni  Ni3  1  0.0  0.81  0.33  1.0

K Si Ni Ni