data_NiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.86
_cell_angle_alpha   116.22
_cell_angle_beta   116.22
_cell_angle_gamma   33.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP2
_chemical_formula_sum   'Ni2 P4'
_cell_volume   90.88
_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
  Ni  Ni0  1  0.01  0.0  0.5  1.0
  Ni  Ni1  1  0.01  0.0  0.69  1.0
  P  P2  1  0.73  0.0  0.26  1.0
  P  P3  1  0.55  0.0  0.02  1.0
  P  P4  1  0.47  0.0  0.17  1.0
  P  P5  1  0.29  0.0  0.94  1.0

data_NiP2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.26
_cell_length_b   5.6
_cell_length_c   5.86
_cell_angle_alpha   116.22
_cell_angle_beta   90.0
_cell_angle_gamma   106.93
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiP2
_chemical_formula_sum   'Ni2 P4'
_cell_volume   90.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ni  Ni0  2  0.0  0.5  0.1  1.0
  P  P1  2  0.0  0.04  0.43  1.0
  P  P2  2  0.0  0.22  0.66  1.0

Ni Ni P P P P