data_[Na102Cd18Ga276Cu21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [16.7127]
_cell_length_b [16.7127]
_cell_length_c [35.9932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Na34Cd6Ga92Cu7]
_chemical_formula_sum '[Na102 Cd18 Ga276 Cu21]'
_cell_volume [8706.4929]
_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
[
  Na  Na0  18  0.0416  0.4185  0.6206  1
  Na  Na1  18  0.0846  0.3749  0.7123  1
  Na  Na2  9  0.0710  0.5355  0.9265  1
  Na  Na3  9  0.0865  0.5432  0.1558  1
  Na  Na4  9  0.1096  0.5548  0.7704  1
  Na  Na5  9  0.2025  0.4049  0.4069  1
  Na  Na6  9  0.2110  0.4219  0.1773  1
  Na  Na7  9  0.2211  0.4423  0.5637  1
  Na  Na8  3  0.0000  0.0000  0.1399  1
  Na  Na9  3  0.0000  0.0000  0.2414  1
  Na  Na10  3  0.0000  0.0000  0.7587  1
  Na  Na11  3  0.0000  0.0000  0.8612  1
  Cd  Cd12  18  0.1599  0.4866  0.4865  1
  Ga  Ga13  18  0.0044  0.1740  0.1800  1
  Ga  Ga14  18  0.0078  0.3646  0.5365  1
  Ga  Ga15  18  0.0265  0.2518  0.3493  1
  Ga  Ga16  18  0.0356  0.3494  0.7966  1
  Ga  Ga17  18  0.0407  0.2506  0.5753  1
  Ga  Ga18  18  0.1079  0.4155  0.3168  1
  Ga  Ga19  18  0.1249  0.4155  0.0909  1
  Ga  Ga20  9  0.0172  0.5086  0.3036  1
  Ga  Ga21  9  0.0547  0.1094  0.9418  1
  Ga  Ga22  9  0.0588  0.1176  0.3251  1
  Ga  Ga23  9  0.0715  0.5357  0.4333  1
  Ga  Ga24  9  0.0864  0.1728  0.0150  1
  Ga  Ga25  9  0.0886  0.1773  0.4040  1
  Ga  Ga26  9  0.0988  0.1975  0.6993  1
  Ga  Ga27  9  0.1083  0.0542  0.0590  1
  Ga  Ga28  9  0.1109  0.5554  0.5512  1
  Ga  Ga29  9  0.1153  0.0577  0.6758  1
  Ga  Ga30  9  0.1731  0.0865  0.9867  1
  Ga  Ga31  9  0.1754  0.3508  0.0285  1
  Ga  Ga32  9  0.1764  0.0882  0.5968  1
  Ga  Ga33  9  0.1969  0.0984  0.3004  1
  Ga  Ga34  9  0.2072  0.4144  0.8988  1
  Ga  Ga35  9  0.2183  0.1091  0.1162  1
  Ga  Ga36  3  0.0000  0.0000  0.3843  1
  Ga  Ga37  3  0.0000  0.0000  0.6164  1
  Cu  Cu38  9  0.0530  0.1060  0.5553  1
  Cu  Cu39  9  0.1068  0.0534  0.4450  1
  Cu  Cu40  3  0.0000  0.0000  0.5001  1
]