data_[Li6Dy6Cu45]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5452]
_cell_length_b [8.5452]
_cell_length_c [12.5874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2Dy2Cu15]
_chemical_formula_sum '[Li6 Dy6 Cu45]'
_cell_volume [795.9892]
_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  6  0.0000  0.0000  0.0938  1.0
  Dy  Dy1  6  0.0000  0.0000  0.3460  1.0
  Cu  Cu2  18  0.0000  0.3041  0.0000  1.0
  Cu  Cu3  18  0.0025  0.5012  0.1565  1.0
  Cu  Cu4  9  0.0000  0.5000  0.5000  1.0
]