data_[Tm16Tc4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [8.7968]
_cell_length_b [8.7968]
_cell_length_c [8.4317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Tm4TcRu]
_chemical_formula_sum '[Tm16 Tc4 Ru4]'
_cell_volume [652.4781]
_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  0.3032  0.4993  1
  Tm  Tm1  8  0.0000  0.3044  0.0006  1
  Tc  Tc2  4  0.0000  0.0000  0.5005  1
  Ru  Ru3  4  0.0000  0.0000  0.9997  1
]