data_[La4Tm8Sc8]
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/m]
_cell_length_a [10.9250]
_cell_length_b [4.8862]
_cell_length_c [10.8757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(TmSc)2]
_chemical_formula_sum '[La4 Tm8 Sc8]'
_cell_volume [580.5678]
_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
[
  La  La0  4  0.2475  0.0000  0.7463  1.0
  Tm  Tm1  4  0.0506  0.0000  0.3535  1.0
  Tm  Tm2  4  0.1472  0.0000  0.0497  1.0
  Sc  Sc3  4  0.0496  0.5000  0.8509  1.0
  Sc  Sc4  4  0.1479  0.5000  0.5502  1.0
]