data_[Nb10Si12Mo10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9233]
_cell_length_b [5.0463]
_cell_length_c [9.8192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Nb5Si6Mo5]
_chemical_formula_sum '[Nb10 Si12 Mo10]'
_cell_volume [488.6412]
_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  4  0.0002  0.2497  0.5006  1.0
  Nb  Nb1  2  0.0762  0.5000  0.8541  1.0
  Nb  Nb2  2  0.0763  0.0000  0.3006  1.0
  Nb  Nb3  2  0.4235  0.5000  0.7005  1.0
  Si  Si4  4  0.4989  0.2481  0.0012  1.0
  Si  Si5  2  0.1662  0.5000  0.4968  1.0
  Si  Si6  2  0.1726  0.0000  0.8413  1.0
  Si  Si7  2  0.3314  0.0000  0.4991  1.0
  Si  Si8  2  0.3318  0.5000  0.1619  1.0
  Mo  Mo9  2  0.2201  0.5000  0.2919  1.0
  Mo  Mo10  2  0.2213  0.0000  0.1463  1.0
  Mo  Mo11  2  0.2786  0.0000  0.7027  1.0
  Mo  Mo12  2  0.2800  0.5000  0.8539  1.0
  Mo  Mo13  2  0.4237  0.0000  0.1474  1.0
]