data_[Sr12Li4Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4150]
_cell_length_b [16.2702]
_cell_length_c [10.5286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3LiGe2]
_chemical_formula_sum '[Sr12 Li4 Ge8]'
_cell_volume [756.2968]
_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  8  0.0000  0.1500  0.0514  1
  Sr  Sr1  4  0.0000  0.3812  0.2500  1
  Li  Li2  4  0.0000  0.4277  0.7500  1
  Ge  Ge3  4  0.0000  0.2598  0.7500  1
  Ge  Ge4  4  0.0000  0.5000  0.0000  1
]