data_[La8Tm2Th6]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.0933]
_cell_length_b [10.2290]
_cell_length_c [10.4444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La4TmTh3]
_chemical_formula_sum '[La8 Tm2 Th6]'
_cell_volume [544.1466]
_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  0.2506  0.1397  1
  La  La1  2  0.0000  0.0000  0.8652  1
  La  La2  2  0.0000  0.5000  0.8575  1
  Tm  Tm3  2  0.0000  0.5000  0.3869  1
  Th  Th4  4  0.0000  0.2518  0.6151  1
  Th  Th5  2  0.0000  0.0000  0.3831  1
]