data_[Sr2Mg12Zn6]
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 [P2_1/m]
_cell_length_a [8.4559]
_cell_length_b [4.6000]
_cell_length_c [11.8715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr(Mg2Zn)3]
_chemical_formula_sum '[Sr2 Mg12 Zn6]'
_cell_volume [453.8737]
_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  0.0575  0.7500  0.2395  1
  Mg  Mg1  2  0.1103  0.7500  0.5710  1
  Mg  Mg2  2  0.2721  0.2500  0.0169  1
  Mg  Mg3  2  0.3275  0.7500  0.8558  1
  Mg  Mg4  2  0.3405  0.2500  0.6786  1
  Mg  Mg5  2  0.3971  0.7500  0.4658  1
  Mg  Mg6  2  0.3986  0.2500  0.2757  1
  Zn  Zn7  2  0.0621  0.7500  0.9657  1
  Zn  Zn8  2  0.2144  0.2500  0.4456  1
  Zn  Zn9  2  0.4352  0.7500  0.1189  1
]