data_[La2Th4Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2530]
_cell_length_b [15.1916]
_cell_length_c [4.4751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LaTh2Pd7]
_chemical_formula_sum '[La2 Th4 Pd14]'
_cell_volume [493.0910]
_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  2  0.0000  0.0000  0.0000  1
  Th  Th1  4  0.0000  0.3075  0.5000  1
  Pd  Pd2  8  0.1851  0.1024  0.5000  1
  Pd  Pd3  4  0.0000  0.1927  0.0000  1
  Pd  Pd4  2  0.0000  0.5000  0.5000  1
]