data_[Tc2Sn12Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Sn  1.9600  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8498]
_cell_length_b [9.3379]
_cell_length_c [6.8234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcSn6Mo]
_chemical_formula_sum '[Tc2 Sn12 Mo2]'
_cell_volume [428.4520]
_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
[
  Tc  Tc0  2  0.0000  0.5000  0.5000  1
  Sn  Sn1  8  0.2262  0.3258  0.7617  1
  Sn  Sn2  4  0.2403  0.0000  0.7349  1
  Mo  Mo3  2  0.0000  0.0000  0.0000  1
]