data_Ni5B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.03
_cell_angle_alpha   110.21
_cell_angle_beta   110.21
_cell_angle_gamma   32.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5B
_chemical_formula_sum   'Ni5 B1'
_cell_volume   59.67
_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  0.23  0.0  0.89  1.0
  Ni  Ni2  1  0.1  0.0  0.73  1.0
  Ni  Ni3  1  0.47  0.0  0.84  1.0
  Ni  Ni4  1  0.91  0.0  0.81  1.0
  Ni  Ni5  1  0.86  0.0  0.79  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Ni5B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.43
_cell_length_c   6.03
_cell_angle_alpha   110.21
_cell_angle_beta   90.0
_cell_angle_gamma   106.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5B
_chemical_formula_sum   'Ni5 B1'
_cell_volume   59.67
_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  0.09  0.19  1.0
  Ni  Ni1  1  0.0  0.14  0.21  1.0
  Ni  Ni2  1  0.0  0.53  0.16  1.0
  Ni  Ni3  1  0.0  0.77  0.11  1.0
  Ni  Ni4  1  0.0  0.9  0.27  1.0
  B  B5  1  0.0  0.0  0.0  1.0

Ni Ni Ni Ni Ni B