data_[Dy12In3Cu3Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2189]
_cell_length_b [5.2189]
_cell_length_c [25.3713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Dy4InCuHg2]
_chemical_formula_sum '[Dy12 In3 Cu3 Hg6]'
_cell_volume [598.4558]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1310  1.0
  Dy  Dy1  6  0.0000  0.0000  0.3819  1.0
  In  In2  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  3  -0.0000  -0.0000  0.5000  1.0
  Hg  Hg4  6  0.0000  0.0000  0.2535  1.0
]