data_[Dy4Ti12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2206]
_cell_length_b [10.6550]
_cell_length_c [4.8149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [DyTi3]
_chemical_formula_sum '[Dy4 Ti12]'
_cell_volume [319.1362]
_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
[
  Dy  Dy0  4  0.0000  0.4093  0.7500  1
  Ti  Ti1  8  0.2317  0.1684  0.7500  1
  Ti  Ti2  4  0.0000  0.0837  0.2500  1
]