data_Ni3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   19.81
_cell_angle_beta   19.81
_cell_angle_gamma   19.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3P
_chemical_formula_sum   'Ni3 P1'
_cell_volume   44.51
_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
  Ni  Ni0  1  0.0  0.0  0.64  1.0
  Ni  Ni1  1  0.0  0.0  0.21  1.0
  Ni  Ni2  1  0.0  0.0  0.77  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Ni3P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   2.62
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   101.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni3P
_chemical_formula_sum   'Ni6 P2'
_cell_volume   89.02
_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
  Ni  Ni0  2  0.0  0.0  0.23  1.0
  Ni  Ni1  2  0.0  0.0  0.36  1.0
  Ni  Ni2  2  0.0  0.0  0.79  1.0
  P  P3  2  0.0  0.0  0.0  1.0

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