data_[Tm2Sc6Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.1952]
_cell_length_b [8.0031]
_cell_length_c [7.1215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [TmSc3Tc]
_chemical_formula_sum '[Tm2 Sc6 Tc2]'
_cell_volume [239.1036]
_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
[
  Tm  Tm0  2  0.0000  0.5000  0.5505  1
  Sc  Sc1  4  0.0000  0.1984  0.1753  1
  Sc  Sc2  2  0.0000  0.0000  0.7953  1
  Tc  Tc3  2  0.0000  0.5000  0.9642  1
]