data_Ni2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   105.67
_cell_angle_beta   105.67
_cell_angle_gamma   117.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2B
_chemical_formula_sum   'Ni4 B2'
_cell_volume   52.42
_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  Ni2  1  0.64  0.84  0.13  1.0
  Ni  Ni3  1  0.16  0.64  0.13  1.0
  Ni  Ni4  1  0.84  0.64  0.0  1.0
  Ni  Ni5  1  0.32  0.84  0.0  1.0
  B  B0  1  0.0  0.0  0.07  1.0
  B  B1  1  0.0  0.0  0.2  1.0

data_Ni2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   105.67
_cell_angle_beta   105.67
_cell_angle_gamma   117.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2B
_chemical_formula_sum   'Ni4 B2'
_cell_volume   52.42
_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  0.16  0.36  0.0  1.0
  Ni  Ni1  1  0.49  0.29  0.13  1.0
  Ni  Ni2  1  0.68  0.16  0.0  1.0
  Ni  Ni3  1  0.97  0.49  0.13  1.0
  B  B4  1  0.07  0.07  0.07  1.0
  B  B5  1  0.2  0.2  0.2  1.0

Ni Ni Ni Ni B B