data_[Dy2Sc2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4150]
_cell_length_b [3.4150]
_cell_length_c [13.3462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [DyScIn]
_chemical_formula_sum '[Dy2 Sc2 In2]'
_cell_volume [155.6464]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.6126  1.0
  Sc  Sc1  2  0.0000  0.0000  0.2942  1.0
  In  In2  2  0.0000  0.0000  0.9432  1.0
]