data_[La12Sm2Tm4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  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 [11.3871]
_cell_length_b [7.1843]
_cell_length_c [8.8158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6SmTm2Sc]
_chemical_formula_sum '[La12 Sm2 Tm4 Sc2]'
_cell_volume [693.5134]
_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  8  0.1720  0.2219  0.7947  1
  La  La1  4  0.1383  0.5000  0.4335  1
  Sm  Sm2  2  0.0000  0.5000  0.0000  1
  Tm  Tm3  4  0.0920  0.0000  0.1758  1
  Sc  Sc4  2  0.0000  0.0000  0.5000  1
]