data_[Sr6Ga4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4897]
_cell_length_b [4.2628]
_cell_length_c [9.0042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(GaGe2)2]
_chemical_formula_sum '[Sr6 Ga4 Ge8]'
_cell_volume [453.8927]
_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  0.1124  0.5000  0.6869  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.2027  0.5000  0.3432  1.0
  Ge  Ge3  4  0.1035  0.0000  0.3910  1.0
  Ge  Ge4  4  0.2088  0.5000  0.0505  1.0
]