data_[Sr8Mg4]
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 [C2/m]
_cell_length_a [14.0937]
_cell_length_b [4.4599]
_cell_length_c [8.6289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Mg]
_chemical_formula_sum '[Sr8 Mg4]'
_cell_volume [518.8548]
_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  0.1942  0.5000  0.8068  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Sr  Sr2  2  0.0000  0.0000  0.5000  1
  Mg  Mg3  4  0.1717  0.5000  0.3734  1
]