data_[Sr4Li4Mg4]
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 [Cm]
_cell_length_a [12.2683]
_cell_length_b [4.9400]
_cell_length_c [6.4040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrLiMg]
_chemical_formula_sum '[Sr4 Li4 Mg4]'
_cell_volume [388.0089]
_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  2  0.0927  0.5000  0.7406  1.0
  Sr  Sr1  2  0.1659  0.0000  0.2502  1.0
  Li  Li2  2  0.3799  0.5000  0.9965  1.0
  Li  Li3  2  0.4415  0.0000  0.2416  1.0
  Mg  Mg4  2  0.3101  0.0000  0.7529  1.0
  Mg  Mg5  2  0.3815  0.5000  0.4963  1.0
]