data_[Sr4Li12Mg8]
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 [Cmcm]
_cell_length_a [10.6091]
_cell_length_b [9.4726]
_cell_length_c [6.3945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrLi3Mg2]
_chemical_formula_sum '[Sr4 Li12 Mg8]'
_cell_volume [642.6219]
_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  0.0000  0.3247  0.7500  1.0
  Li  Li1  8  0.1658  0.2680  0.2500  1.0
  Li  Li2  4  0.0000  0.0347  0.2500  1.0
  Mg  Mg3  8  0.2263  0.0000  0.0000  1.0
]