data_[Sr3Cd3Cu51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5746]
_cell_length_b [8.5746]
_cell_length_c [12.5069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrCdCu17]
_chemical_formula_sum '[Sr3 Cd3 Cu51]'
_cell_volume [796.3552]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.3444  1
  Cd  Cd1  3  0.0000  0.0000  0.6556  1
  Cu  Cu2  18  0.0403  0.3692  0.6673  1
  Cu  Cu3  9  0.1684  0.3368  0.8354  1
  Cu  Cu4  9  0.1691  0.3383  0.1799  1
  Cu  Cu5  9  0.1729  0.3458  0.4872  1
  Cu  Cu6  3  0.0000  0.0000  0.0918  1
  Cu  Cu7  3  0.0000  0.0000  0.8973  1
]