data_[Tm12Cd8Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [15.9937]
_cell_length_b [5.1453]
_cell_length_c [6.9913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3Cd2Co]
_chemical_formula_sum '[Tm12 Cd8 Co4]'
_cell_volume [575.3307]
_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  0.1268  0.0000  0.0000  1.0
  Tm  Tm1  4  0.0000  0.4506  0.2500  1.0
  Cd  Cd2  8  0.1981  0.4985  0.7500  1.0
  Co  Co3  4  0.0000  0.0517  0.7500  1.0
]