data_[Sr4Mg12Zn8]
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 [C2/m]
_cell_length_a [17.1861]
_cell_length_b [4.4703]
_cell_length_c [8.5668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrMg3Zn2]
_chemical_formula_sum '[Sr4 Mg12 Zn8]'
_cell_volume [588.5329]
_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  0.1487  0.0000  0.0667  1.0
  Mg  Mg1  4  0.0412  0.0000  0.3681  1.0
  Mg  Mg2  4  0.0972  0.5000  0.6910  1.0
  Mg  Mg3  4  0.1818  0.5000  0.4449  1.0
  Zn  Zn4  4  0.0152  0.5000  0.1557  1.0
  Zn  Zn5  4  0.1955  0.0000  0.6901  1.0
]