data_[La16Tm10Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.0890]
_cell_length_b [11.0659]
_cell_length_c [9.2788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.5422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [La8Tm5Sc]
_chemical_formula_sum '[La16 Tm10 Sc2]'
_cell_volume [957.8750]
_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
[
  La  La0  4  0.0475  0.6248  0.8333  1
  La  La1  4  0.0555  0.1908  0.8354  1
  La  La2  4  0.1513  0.9134  0.2613  1
  La  La3  4  0.1942  0.7320  0.6286  1
  Tm  Tm4  4  0.1930  0.1002  0.6375  1
  Tm  Tm5  4  0.1940  0.9093  0.9299  1
  Tm  Tm6  2  0.0000  0.3995  0.5000  1
  Sc  Sc7  2  0.0000  0.4096  0.0000  1
]