data_[La1Dy1Y6]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5898]
_cell_length_b [6.8056]
_cell_length_c [6.9966]
_cell_angle_alpha [118.3042]
_cell_angle_beta [103.5049]
_cell_angle_gamma [90.5021]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaDyY6]
_chemical_formula_sum '[La1 Dy1 Y6]'
_cell_volume [265.9958]
_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  0.0000  1
  Y  Y1  2  0.2354  0.5788  0.4871  1
  Y  Y2  2  0.2537  0.5443  0.0031  1
  Y  Y3  2  0.2734  0.0956  0.5290  1
  Dy  Dy4  1  0.5000  0.0000  0.0000  1
]