data_KNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.64
_cell_angle_alpha   102.09
_cell_angle_beta   102.09
_cell_angle_gamma   52.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNiP2
_chemical_formula_sum   'K1 Ni1 P2'
_cell_volume   76.11
_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
  Ni  Ni1  1  0.67  0.0  0.23  1.0
  P  P2  1  0.78  0.0  0.39  1.0
  P  P3  1  0.56  0.0  0.06  1.0

data_KNiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.85
_cell_length_c   6.64
_cell_angle_alpha   102.09
_cell_angle_beta   90.0
_cell_angle_gamma   116.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNiP2
_chemical_formula_sum   'K1 Ni1 P2'
_cell_volume   76.11
_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
  Ni  Ni1  1  0.0  0.33  0.77  1.0
  P  P2  1  0.0  0.22  0.61  1.0
  P  P3  1  0.0  0.44  0.94  1.0

K Ni P P