data_[Sr20Mg8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.1999]
_cell_length_b [6.9271]
_cell_length_c [10.2828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr5Mg2]
_chemical_formula_sum '[Sr20 Mg8]'
_cell_volume [1281.9688]
_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  8  0.1029  0.1683  0.9305  1
  Sr  Sr1  8  0.2199  0.3633  0.3208  1
  Sr  Sr2  4  0.0000  0.3155  0.2500  1
  Mg  Mg3  8  0.0952  0.3282  0.5794  1
]