data_[Tc2Sn4Mo2]
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 [Pmc2_1]
_cell_length_a [4.4219]
_cell_length_b [5.5565]
_cell_length_c [6.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TcSn2Mo]
_chemical_formula_sum '[Tc2 Sn4 Mo2]'
_cell_volume [154.1022]
_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  0.1288  0.5789  1
  Sn  Sn1  2  0.0000  0.3629  0.1995  1
  Sn  Sn2  2  0.5000  0.1292  0.9046  1
  Mo  Mo3  2  0.5000  0.3765  0.5238  1
]