data_[Tm2Mg12Sc4]
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
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.9846]
_cell_length_b [5.9846]
_cell_length_c [14.5839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Tm(Mg3Sc)2]
_chemical_formula_sum '[Tm2 Mg12 Sc4]'
_cell_volume [522.3359]
_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  2  0.0000  0.0000  0.5000  1
  Mg  Mg1  8  0.1691  0.8309  0.9031  1
  Mg  Mg2  4  0.0000  0.5000  0.2500  1
  Sc  Sc3  4  0.0000  0.0000  0.2913  1
]