data_[La4Ho12Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1057]
_cell_length_b [10.8141]
_cell_length_c [11.3998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2(Ho2Th)3]
_chemical_formula_sum '[La4 Ho12 Th6]'
_cell_volume [752.1639]
_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  0.3486  0.5000  1
  Ho  Ho1  8  0.1430  0.1639  0.7540  1
  Ho  Ho2  4  0.1467  0.5000  0.7624  1
  Th  Th3  4  0.0000  0.3320  0.0000  1
  Th  Th4  2  0.0000  0.0000  0.0000  1
]