data_[Ac4La4Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2138]
_cell_length_b [3.7008]
_cell_length_c [10.1932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcLaTh]
_chemical_formula_sum '[Ac4 La4 Th4]'
_cell_volume [458.7301]
_cell_formula_units_Z [4]
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  0.1061  0.5000  0.7153  1
  Ac  Ac1  4  0.1434  0.5000  0.1078  1
  Th  Th2  4  0.1331  0.0000  0.4260  1
]