data_Ni5B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5B3
_chemical_formula_sum   'Ni10 B6'
_cell_volume   140.74
_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  Ni6  1  0.98  0.72  0.29  1.0
  Ni  Ni7  1  0.0  0.44  0.0  1.0
  Ni  Ni8  1  0.0  0.44  0.29  1.0
  Ni  Ni9  1  0.98  0.72  0.0  1.0
  Ni  Ni10  1  0.77  0.86  0.43  1.0
  Ni  Ni11  1  0.25  0.3  0.14  1.0
  Ni  Ni12  1  0.75  0.3  0.43  1.0
  Ni  Ni13  1  0.46  0.0  0.43  1.0
  Ni  Ni14  1  0.51  0.0  0.14  1.0
  Ni  Ni15  1  0.23  0.86  0.14  1.0
  B  B0  1  0.82  0.04  0.43  1.0
  B  B1  1  0.19  0.13  0.14  1.0
  B  B2  1  0.81  0.13  0.43  1.0
  B  B3  1  0.35  0.0  0.43  1.0
  B  B4  1  0.61  0.0  0.14  1.0
  B  B5  1  0.18  0.04  0.14  1.0

data_Ni5B3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5B3
_chemical_formula_sum   'Ni10 B6'
_cell_volume   140.74
_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  0.98  0.72  1.0
  Ni  Ni1  1  0.0  0.0  0.44  1.0
  Ni  Ni2  1  0.14  0.23  0.86  1.0
  Ni  Ni3  1  0.14  0.25  0.3  1.0
  Ni  Ni4  1  0.14  0.51  0.0  1.0
  Ni  Ni5  1  0.29  0.0  0.44  1.0
  Ni  Ni6  1  0.29  0.98  0.72  1.0
  Ni  Ni7  1  0.43  0.46  0.0  1.0
  Ni  Ni8  1  0.43  0.75  0.3  1.0
  Ni  Ni9  1  0.43  0.77  0.86  1.0
  B  B10  1  0.14  0.18  0.04  1.0
  B  B11  1  0.14  0.19  0.13  1.0
  B  B12  1  0.14  0.61  0.0  1.0
  B  B13  1  0.43  0.35  0.0  1.0
  B  B14  1  0.43  0.81  0.13  1.0
  B  B15  1  0.43  0.82  0.04  1.0

Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni B B B B B B
Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni B B B B B B 0 9 + o o 0 3 o o o 1 2 o o o 2 6 - o o 3 9 + o o 4 10 o + o 5 11 o o o 6 12 o o o 7 13 o o o 8 14 o o o 8 9 o - o 9 15 o + o 9 13 o + o 10 12 o o o 11 15 o o o 