data_[Tm8Co104]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Fm-3c]
_cell_length_a [11.1654]
_cell_length_b [11.1654]
_cell_length_c [11.1654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [226]
_chemical_formula_structural [TmCo13]
_chemical_formula_sum '[Tm8 Co104]'
_cell_volume [1391.9466]
_cell_formula_units_Z [8]
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  0.2500  0.2500  0.2500  1
  Co  Co1  96  0.0000  0.1198  0.3222  1
  Co  Co2  8  0.0000  0.0000  0.0000  1
]