data_[Sr6Mg8Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7177]
_cell_length_b [7.4324]
_cell_length_c [15.4762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3(MgGe)4]
_chemical_formula_sum '[Sr6 Mg8 Ge8]'
_cell_volume [542.6539]
_cell_formula_units_Z [2]
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  0.0000  0.1173  1.0
  Sr  Sr1  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  8  0.0000  0.2002  0.3288  1.0
  Ge  Ge3  4  0.0000  0.3205  0.5000  1.0
  Ge  Ge4  4  0.0000  0.5000  0.2168  1.0
]