data_[Tm6Co6B16]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2298]
_cell_length_b [8.7442]
_cell_length_c [10.2900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3Co3B8]
_chemical_formula_sum '[Tm6 Co6 B16]'
_cell_volume [290.6081]
_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  0.0000  0.0000  0.2023  1
  Tm  Tm1  2  0.0000  0.0000  0.5000  1
  Co  Co2  4  0.0000  0.2224  0.0000  1
  Co  Co3  2  0.0000  0.5000  0.5000  1
  B  B4  8  0.0000  0.2776  0.3631  1
  B  B5  8  0.0000  0.3098  0.1803  1
]