data_[Tm3Mg3Sc6Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6202]
_cell_length_b [4.6202]
_cell_length_c [22.8243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TmMg(ScCu2)2]
_chemical_formula_sum '[Tm3 Mg3 Sc6 Cu12]'
_cell_volume [421.9471]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Mg  Mg1  3  -0.0000  -0.0000  0.5000  1
  Sc  Sc2  6  0.0000  0.0000  0.2462  1
  Cu  Cu3  6  0.0000  0.0000  0.1250  1
  Cu  Cu4  6  0.0000  0.0000  0.3784  1
]