data_[Sr4Li8Mg40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.7477]
_cell_length_b [14.7320]
_cell_length_c [14.9445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sr(LiMg5)2]
_chemical_formula_sum '[Sr4 Li8 Mg40]'
_cell_volume [1265.4292]
_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  0.0000  0.0000  1.0
  Li  Li1  8  0.2500  0.0000  0.2500  1.0
  Mg  Mg2  16  0.0000  0.1064  0.3868  1.0
  Mg  Mg3  16  0.0000  0.1748  0.1793  1.0
  Mg  Mg4  8  0.2500  0.2500  0.0000  1.0
]