data_NbNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   19.27
_cell_angle_beta   19.27
_cell_angle_gamma   19.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2P
_chemical_formula_sum   'Nb1 Ni2 P1'
_cell_volume   52.34
_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
  Nb  Nb0  1  0.0  0.0  0.06  1.0
  Ni  Ni1  1  0.0  0.0  0.78  1.0
  Ni  Ni2  1  0.0  0.0  0.34  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_NbNi2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   2.74
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   101.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbNi2P
_chemical_formula_sum   'Nb2 Ni4 P2'
_cell_volume   104.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Nb  Nb0  2  -0.0  0.0  0.94  1.0
  Ni  Ni1  2  -0.0  0.0  0.66  1.0
  Ni  Ni2  2  -0.0  0.0  0.22  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Nb Ni Ni P
Nb Ni Ni P 0 3 o o o 0 2 o o o 1 3 o o + 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 