data_[Tm12Th8Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.8465]
_cell_length_b [11.1630]
_cell_length_c [5.7523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm3(ThSc2)2]
_chemical_formula_sum '[Tm12 Th8 Sc16]'
_cell_volume [1008.1960]
_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  0.1617  0.1119  0.6035  1
  Tm  Tm1  4  0.0000  0.3754  0.7500  1
  Th  Th2  8  0.1195  0.3705  0.2942  1
  Sc  Sc3  8  0.0491  0.1244  0.0340  1
  Sc  Sc4  8  0.2296  0.3634  0.8421  1
]