data_[Ni6B6Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7923]
_cell_length_b [3.2622]
_cell_length_c [9.9600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NiBMo]
_chemical_formula_sum '[Ni6 B6 Mo6]'
_cell_volume [188.1982]
_cell_formula_units_Z [6]
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  2  0.0074  0.7500  0.0869  1
  Ni  Ni1  2  0.1490  0.7500  0.4625  1
  Ni  Ni2  2  0.3647  0.2500  0.8000  1
  B  B3  2  0.2315  0.7500  0.9147  1
  B  B4  2  0.2339  0.2500  0.5890  1
  B  B5  2  0.2675  0.7500  0.2483  1
  Mo  Mo6  2  0.0285  0.7500  0.7119  1
  Mo  Mo7  2  0.3557  0.2500  0.0785  1
  Mo  Mo8  2  0.4700  0.2500  0.3834  1
]