data_[Tm12Cu6Tc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8004]
_cell_length_b [4.8004]
_cell_length_c [23.5088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm4Cu2Tc]
_chemical_formula_sum '[Tm12 Cu6 Tc3]'
_cell_volume [469.1607]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1226  1
  Tm  Tm1  6  0.0000  0.0000  0.3747  1
  Cu  Cu2  6  0.0000  0.0000  0.2530  1
  Tc  Tc3  3  0.0000  0.0000  0.0000  1
]