data_[Tm16Cu4Tc2]
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 [C2/m]
_cell_length_a [16.9328]
_cell_length_b [5.0277]
_cell_length_c [6.6609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Cu2Tc]
_chemical_formula_sum '[Tm16 Cu4 Tc2]'
_cell_volume [538.8152]
_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  4  0.0318  0.0000  0.7965  1
  Tm  Tm1  4  0.0923  0.5000  0.4418  1
  Tm  Tm2  4  0.1679  0.5000  0.9726  1
  Tm  Tm3  4  0.1964  0.0000  0.3129  1
  Cu  Cu4  4  0.1834  0.0000  0.7093  1
  Tc  Tc5  2  0.0000  0.5000  0.0000  1
]