data_[Sr6Li6Mg45]
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 [R-3m]
_cell_length_a [10.5412]
_cell_length_b [10.5412]
_cell_length_c [15.3574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Li2Mg15]
_chemical_formula_sum '[Sr6 Li6 Mg45]'
_cell_volume [1477.8448]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3381  1
  Li  Li1  6  0.0000  0.0000  0.0957  1
  Mg  Mg2  18  0.0000  0.2979  0.0000  1
  Mg  Mg3  18  0.0003  0.5002  0.1538  1
  Mg  Mg4  9  0.0000  0.5000  0.5000  1
]