data_[Sr8Mg20Zn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6140]
_cell_length_b [28.3004]
_cell_length_c [7.7162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2Mg5Zn3]
_chemical_formula_sum '[Sr8 Mg20 Zn12]'
_cell_volume [1007.5556]
_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  0.0000  0.1775  0.2849  1
  Sr  Sr1  4  0.0000  0.4775  0.2306  1
  Mg  Mg2  4  0.0000  0.0584  0.4032  1
  Mg  Mg3  4  0.0000  0.1317  0.7682  1
  Mg  Mg4  4  0.0000  0.2894  0.0901  1
  Mg  Mg5  4  0.0000  0.2922  0.4725  1
  Mg  Mg6  4  0.0000  0.4011  0.5967  1
  Zn  Zn7  4  0.0000  0.0451  0.0253  1
  Zn  Zn8  4  0.0000  0.2345  0.7806  1
  Zn  Zn9  4  0.0000  0.3846  0.9831  1
]