data_NiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   20.61
_cell_angle_alpha   93.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP2
_chemical_formula_sum   'Ni2 P4'
_cell_volume   637.33
_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  0.0  0.0  0.01  1.0
  Ni  Ni1  1  0.5  0.5  0.01  1.0
  P  P2  1  0.37  0.87  0.01  1.0
  P  P3  1  0.87  0.63  0.01  1.0
  P  P4  1  0.13  0.37  0.01  1.0
  P  P5  1  0.63  0.13  0.01  1.0

Ni Ni P P P P 0 3 - - o 0 5 - o o 0 2 o - o 0 4 o o o 1 4 o o o 1 2 o o o 1 5 o o o 1 3 o o o 2 5 o + o 3 4 + o o 
data_NiP2
_symmetry_space_group_name_H-M   P2_1/c
_cell_length_a   20.61
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   93.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   14
_chemical_formula_structural   NiP2
_chemical_formula_sum   'Ni2 P4'
_cell_volume   637.33
_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, y+1/2, -z+1/2'
  4  'x, -y+1/2, z+1/2'
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  0.0  1.0
  P  P1  4  0.0  0.63  0.13  1.0
