data_[La2Tm6Sc8]
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 [Pmn2_1]
_cell_length_a [10.8390]
_cell_length_b [6.9765]
_cell_length_c [5.9810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LaTm3Sc4]
_chemical_formula_sum '[La2 Tm6 Sc8]'
_cell_volume [452.2738]
_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  2  0.0000  0.3654  0.1387  1.0
  Tm  Tm1  4  0.2492  0.3642  0.4881  1.0
  Tm  Tm2  2  0.0000  0.6354  0.6411  1.0
  Sc  Sc3  4  0.2459  0.8834  0.4798  1.0
  Sc  Sc4  2  0.0000  0.1127  0.6495  1.0
  Sc  Sc5  2  0.0000  0.8835  0.1502  1.0
]