data_[La1Dy1Th1Sc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5892]
_cell_length_b [3.5892]
_cell_length_c [9.6813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaDyThSc]
_chemical_formula_sum '[La1 Dy1 Th1 Sc1]'
_cell_volume [124.7165]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0832  1
  Dy  Dy1  1  0.5000  0.5000  0.8086  1
  Th  Th2  1  0.0000  0.0000  0.5604  1
  Sc  Sc3  1  0.5000  0.5000  0.3324  1
]