data_[Sr6Li3Mg48]
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 [R3m]
_cell_length_a [10.5231]
_cell_length_b [10.5231]
_cell_length_c [15.3902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr2LiMg16]
_chemical_formula_sum '[Sr6 Li3 Mg48]'
_cell_volume [1475.9092]
_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  3  0.0000  0.0000  0.3374  1
  Sr  Sr1  3  0.0000  0.0000  0.6621  1
  Li  Li2  3  0.0000  0.0000  0.9026  1
  Mg  Mg3  18  0.0000  0.2963  0.0000  1
  Mg  Mg4  9  0.0003  0.5001  0.8477  1
  Mg  Mg5  9  0.0014  0.5007  0.5002  1
  Mg  Mg6  9  0.0016  0.5008  0.1524  1
  Mg  Mg7  3  0.0000  0.0000  0.0968  1
]