data_[Sr1Mg15]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.6095]
_cell_length_b [6.6095]
_cell_length_c [10.4229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [SrMg15]
_chemical_formula_sum '[Sr1 Mg15]'
_cell_volume [394.3222]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  6  0.1703  0.8297  0.2404  1.0
  Mg  Mg2  3  0.0095  0.5047  0.5000  1.0
  Mg  Mg3  3  0.5008  0.0016  0.0000  1.0
  Mg  Mg4  2  0.6667  0.3333  0.7464  1.0
  Mg  Mg5  1  0.0000  0.0000  0.0000  1.0
]