data_[Nb2Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1203]
_cell_length_b [4.5107]
_cell_length_c [2.7736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbMo4]
_chemical_formula_sum '[Nb2 Mo8]'
_cell_volume [162.5632]
_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
[
  Nb  Nb0  2  0.0000  0.0000  0.0000  1
  Mo  Mo1  4  0.1021  0.5000  0.4024  1
  Mo  Mo2  4  0.2012  0.0000  0.7965  1
]