data_[Nb4Tc2Mo16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2410]
_cell_length_b [3.1795]
_cell_length_c [7.1321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2TcMo8]
_chemical_formula_sum '[Nb4 Tc2 Mo16]'
_cell_volume [354.8150]
_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  0.1349  0.5000  0.1796  1
  Tc  Tc1  2  0.0000  0.0000  0.0000  1
  Mo  Mo2  4  0.0456  0.5000  0.7249  1
  Mo  Mo3  4  0.0902  0.0000  0.4560  1
  Mo  Mo4  4  0.1820  0.0000  0.9049  1
  Mo  Mo5  4  0.2255  0.5000  0.6355  1
]