data_[Sr4Mg20Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3983]
_cell_length_b [14.5776]
_cell_length_c [12.8444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrMg5Si3]
_chemical_formula_sum '[Sr4 Mg20 Si12]'
_cell_volume [823.5354]
_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  0.1424  0.2500  1
  Mg  Mg1  8  0.0000  0.1951  0.5649  1
  Mg  Mg2  8  0.0000  0.4482  0.1398  1
  Mg  Mg3  4  0.0000  0.0000  0.0000  1
  Si  Si4  8  0.0000  0.3774  0.5546  1
  Si  Si5  4  0.0000  0.0955  0.7500  1
]