data_[Tm14Mg8Sc2]
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 [C2/m]
_cell_length_a [14.8193]
_cell_length_b [5.6124]
_cell_length_c [9.5047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm7Mg4Sc]
_chemical_formula_sum '[Tm14 Mg8 Sc2]'
_cell_volume [673.2971]
_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  0.0796  0.0000  0.4251  1
  Tm  Tm1  4  0.2027  0.0000  0.8790  1
  Tm  Tm2  4  0.2437  0.0000  0.2799  1
  Tm  Tm3  2  0.0000  0.5000  0.0000  1
  Mg  Mg4  4  0.0448  0.5000  0.6974  1
  Mg  Mg5  4  0.1741  0.5000  0.3495  1
  Sc  Sc6  2  0.0000  0.0000  0.0000  1
]