data_NiP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   7.48
_cell_angle_alpha   98.26
_cell_angle_beta   98.26
_cell_angle_gamma   27.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP5
_chemical_formula_sum   'Ni1 P5'
_cell_volume   109.52
_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  0.02  0.0  0.93  1.0
  P  P1  1  0.92  0.0  0.39  1.0
  P  P2  1  0.2  0.0  0.43  1.0
  P  P3  1  0.95  0.0  0.36  1.0
  P  P4  1  0.3  0.0  0.61  1.0
  P  P5  1  0.48  0.0  0.24  1.0

data_NiP5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.69
_cell_length_c   7.48
_cell_angle_alpha   98.26
_cell_angle_beta   90.0
_cell_angle_gamma   103.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP5
_chemical_formula_sum   'Ni1 P5'
_cell_volume   109.52
_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  0.98  0.07  1.0
  P  P1  1  0.0  0.05  0.64  1.0
  P  P2  1  0.0  0.08  0.61  1.0
  P  P3  1  0.0  0.52  0.76  1.0
  P  P4  1  0.0  0.7  0.39  1.0
  P  P5  1  0.0  0.8  0.57  1.0

Ni P P P P P