data_[Li3Dy6Cu36Ni9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3888]
_cell_length_b [8.3888]
_cell_length_c [12.2191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiDy2(Cu4Ni)3]
_chemical_formula_sum '[Li3 Dy6 Cu36 Ni9]'
_cell_volume [744.6803]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0000  1
  Dy  Dy1  6  0.0000  0.0000  0.2544  1
  Cu  Cu2  18  0.0179  0.5090  0.7061  1
  Cu  Cu3  18  0.0473  0.5237  0.1008  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]