[CIF]
data_NiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49558784
_cell_length_b   5.49558784
_cell_length_c   5.49558784
_cell_angle_alpha   147.66514666
_cell_angle_beta   147.66514666
_cell_angle_gamma   46.37992327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiB2
_chemical_formula_sum   'Ni2 B4'
_cell_volume   47.31444514
_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
  B  B0  1  1.53021963  -0.00000000  3.37941650  1
  B  B1  1  0.00000000  0.00000000  4.19793583  1
  B  B2  1  1.53021963  -0.00000000  1.67215172  1
  B  B3  1  -0.00000000  -0.00000000  5.90520061  1
  Ni  Ni4  1  0.00000000  1.53021963  2.52578411  1
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
