data_[Li2Nd1Dy1Se2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9585]
_cell_length_b [3.9585]
_cell_length_c [8.9461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Li2NdDy(SeO)2]
_chemical_formula_sum '[Li2 Nd1 Dy1 Se2 O2]'
_cell_volume [140.1858]
_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
[
  Li  Li0  2  0.0000  0.5000  0.5026  1
  Nd  Nd1  1  0.5000  0.5000  0.1314  1
  Dy  Dy2  1  0.0000  0.0000  0.8750  1
  Se  Se3  1  0.0000  0.0000  0.3235  1
  Se  Se4  1  0.5000  0.5000  0.6770  1
  O  O5  2  0.0000  0.5000  0.9940  1
]