data_[Nb16Co16Mo16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.9163]
_cell_length_b [8.4418]
_cell_length_c [17.2764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [NbCoMo]
_chemical_formula_sum '[Nb16 Co16 Mo16]'
_cell_volume [717.0154]
_cell_formula_units_Z [16]
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
[
  Nb  Nb0  16  0.0000  0.0000  0.4202  1.0
  Co  Co1  16  0.0000  0.0000  0.1233  1.0
  Mo  Mo2  16  0.0000  0.1726  0.0000  1.0
]