data_[La4Y12Tm6Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2244]
_cell_length_b [10.7709]
_cell_length_c [11.8135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Y6Tm3Th]
_chemical_formula_sum '[La4 Y12 Tm6 Th2]'
_cell_volume [779.7306]
_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  0.0000  0.3334  0.0000  1
  Y  Y1  8  0.2498  0.1646  0.2534  1
  Y  Y2  4  0.2438  0.0000  0.7467  1
  Tm  Tm3  4  0.0000  0.1668  0.5000  1
  Tm  Tm4  2  0.0000  0.5000  0.5000  1
  Th  Th5  2  0.0000  0.0000  0.0000  1
]