data_[Sr8Li36Mg12]
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 [Cmcm]
_cell_length_a [15.1037]
_cell_length_b [9.1347]
_cell_length_c [10.3034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr2(Li3Mg)3]
_chemical_formula_sum '[Sr8 Li36 Mg12]'
_cell_volume [1421.5315]
_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  0.1515  0.1668  0.7500  1
  Li  Li1  16  0.1612  0.1838  0.0903  1
  Li  Li2  8  0.0000  0.3457  0.5111  1
  Li  Li3  8  0.0954  0.4549  0.2500  1
  Li  Li4  4  0.0000  0.1690  0.2500  1
  Mg  Mg5  8  0.1879  0.5000  0.0000  1
  Mg  Mg6  4  0.0000  0.0000  0.0000  1
]