data_[Sr2Zn12Cu6]
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 [P2_1/c]
_cell_length_a [6.6987]
_cell_length_b [6.6430]
_cell_length_c [8.5983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr(Zn2Cu)3]
_chemical_formula_sum '[Sr2 Zn12 Cu6]'
_cell_volume [332.7681]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  4  0.1345  0.0174  0.6775  1
  Zn  Zn2  4  0.2807  0.1640  0.4334  1
  Zn  Zn3  4  0.4864  0.7241  0.2320  1
  Cu  Cu4  4  0.2499  0.6982  0.8877  1
  Cu  Cu5  2  0.5000  0.0000  0.0000  1
]