data_CoNiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiB
_chemical_formula_sum   'Co1 Ni1 B1'
_cell_volume   27.77
_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
  Co  Co1  1  0.0  0.49  0.35  1.0
  Ni  Ni2  1  0.29  0.74  0.47  1.0
  B  B0  1  0.0  0.0  0.02  1.0

data_CoNiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiB
_chemical_formula_sum   'Co1 Ni1 B1'
_cell_volume   27.77
_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
  Co  Co0  1  0.0  0.49  0.35  1.0
  Ni  Ni1  1  0.29  0.74  0.47  1.0
  B  B2  1  0.0  0.0  0.02  1.0

Co Ni B
Co Ni B 0 1 o o o 0 2 + + o 0 2 o o o 0 2 o + o 0 2 - o o 1 2 + + o 1 2 o o o 1 2 o + o 2 2 + + o 2 2 o + o 2 2 + o o 