data_[Sr20Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.7654]
_cell_length_b [7.4222]
_cell_length_c [8.2117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr5Ge2]
_chemical_formula_sum '[Sr20 Ge8]'
_cell_volume [1076.7610]
_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  0.0901  0.1224  0.9242  1
  Sr  Sr1  8  0.2197  0.4397  0.3161  1
  Sr  Sr2  4  0.0000  0.4387  0.2500  1
  Ge  Ge3  8  0.1058  0.2778  0.5629  1
]