data_[La6Tm2Th4]
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 [Pnnm]
_cell_length_a [11.2230]
_cell_length_b [11.8471]
_cell_length_c [3.4904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [La3TmTh2]
_chemical_formula_sum '[La6 Tm2 Th4]'
_cell_volume [464.0885]
_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  0.2399  0.0862  0.5000  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Tm  Tm2  2  0.0000  0.5000  0.5000  1
  Th  Th3  4  0.0969  0.7758  0.5000  1
]