data_[Tm6Tc1Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tc  1.9000  1.3500  0.7417
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9668]
_cell_length_b [7.9668]
_cell_length_c [4.3547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Tm6TcSn2]
_chemical_formula_sum '[Tm6 Tc1 Sn2]'
_cell_volume [239.3613]
_cell_formula_units_Z [1]
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
[
  Tm  Tm0  3  0.0000  0.2409  0.0000  1
  Tm  Tm1  3  0.0000  0.6004  0.5000  1
  Tc  Tc2  1  0.0000  0.0000  0.5000  1
  Sn  Sn3  2  0.3333  0.6667  0.0000  1
]