data_[Mg24Zn4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0419]
_cell_length_b [14.3365]
_cell_length_c [5.9534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg6ZnSn3]
_chemical_formula_sum '[Mg24 Zn4 Sn12]'
_cell_volume [942.4349]
_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
[
  Mg  Mg0  8  0.1416  0.4970  0.5910  1
  Mg  Mg1  8  0.2265  0.1795  0.8509  1
  Mg  Mg2  4  0.0000  0.0437  0.6749  1
  Mg  Mg3  4  0.0000  0.3234  0.8148  1
  Zn  Zn4  4  0.0000  0.1628  0.0779  1
  Sn  Sn5  8  0.1966  0.1225  0.3583  1
  Sn  Sn6  4  0.0000  0.3489  0.3175  1
]