data_[Dy1Y1Th1Mg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5968]
_cell_length_b [3.5968]
_cell_length_c [9.1872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [DyYThMg]
_chemical_formula_sum '[Dy1 Y1 Th1 Mg1]'
_cell_volume [118.8517]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0828  1
  Dy  Dy1  1  0.0000  0.0000  0.5603  1
  Th  Th2  1  0.5000  0.5000  0.8198  1
  Mg  Mg3  1  0.5000  0.5000  0.3218  1
]