data_[Sr6Zn36Cu15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1115]
_cell_length_b [9.1115]
_cell_length_c [12.9971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Zn12Cu5]
_chemical_formula_sum '[Sr6 Zn36 Cu15]'
_cell_volume [934.4539]
_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  6  0.0000  0.0000  0.3450  1
  Zn  Zn1  18  0.0000  0.2853  0.0000  1
  Zn  Zn2  18  0.0148  0.5074  0.8482  1
  Cu  Cu3  9  0.0000  0.5000  0.5000  1
  Cu  Cu4  6  0.0000  0.0000  0.1001  1
]