data_[Tc4Ni12Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2994]
_cell_length_b [4.1894]
_cell_length_c [4.5915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcNi3Mo]
_chemical_formula_sum '[Tc4 Ni12 Mo4]'
_cell_volume [255.2705]
_cell_formula_units_Z [4]
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
[
  Tc  Tc0  4  0.2390  0.0000  0.1598  1
  Ni  Ni1  4  0.0382  0.0000  0.2456  1
  Ni  Ni2  4  0.1471  0.5000  0.3207  1
  Ni  Ni3  4  0.1579  0.0000  0.6462  1
  Mo  Mo4  4  0.0640  0.5000  0.8036  1
]