data_[Sr12Zn4Cu8]
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 [Pnma]
_cell_length_a [12.5245]
_cell_length_b [4.4688]
_cell_length_c [12.8816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr3ZnCu2]
_chemical_formula_sum '[Sr12 Zn4 Cu8]'
_cell_volume [720.9668]
_cell_formula_units_Z [4]
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  4  0.0593  0.2500  0.6239  1
  Sr  Sr1  4  0.1211  0.7500  0.0592  1
  Sr  Sr2  4  0.2041  0.2500  0.3045  1
  Zn  Zn3  4  0.1244  0.2500  0.8676  1
  Cu  Cu4  4  0.0372  0.7500  0.8186  1
  Cu  Cu5  4  0.2026  0.7500  0.4844  1
]