data_[Tm16Cu4Tc4]
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 [I4_1md]
_cell_length_a [9.2365]
_cell_length_b [9.2365]
_cell_length_c [7.9009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Tm4CuTc]
_chemical_formula_sum '[Tm16 Cu4 Tc4]'
_cell_volume [674.0493]
_cell_formula_units_Z [4]
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  8  0.0000  0.2031  0.5092  1
  Tm  Tm1  8  0.0000  0.2076  0.9920  1
  Cu  Cu2  4  0.0000  0.0000  0.2498  1
  Tc  Tc3  4  0.0000  0.0000  0.7478  1
]