data_NiBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   28.15
_cell_angle_beta   28.15
_cell_angle_gamma   28.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBP2
_chemical_formula_sum   'Ni1 B1 P2'
_cell_volume   43.97
_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  Ni1  1  0.0  0.0  0.74  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.58  1.0
  P  P3  1  0.0  0.0  0.89  1.0

data_NiBP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiBP2
_chemical_formula_sum   'Ni2 B2 P4'
_cell_volume   87.94
_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  0.26  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  P  P2  2  -0.0  0.0  0.42  1.0
  P  P3  2  -0.0  0.0  0.11  1.0

Ni B P P
Ni B P P 0 2 o o o 0 3 o o o 1 3 o o - 