data_Ni2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BMo
_chemical_formula_sum   'Ni2 B1 Mo1'
_cell_volume   45.62
_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  Ni2  1  0.19  0.15  0.3  1.0
  Ni  Ni3  1  0.19  0.85  0.3  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.37  0.0  0.0  1.0

data_Ni2BMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   114.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BMo
_chemical_formula_sum   'Ni2 B1 Mo1'
_cell_volume   45.62
_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  0.3  0.19  0.15  1.0
  Ni  Ni1  1  0.3  0.19  0.85  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.37  0.0  1.0

Ni Ni B Mo