data_[Sr6In4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7022]
_cell_length_b [4.4268]
_cell_length_c [9.3177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(InGe2)2]
_chemical_formula_sum '[Sr6 In4 Ge8]'
_cell_volume [490.7417]
_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  0.1092  0.5000  0.6906  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1979  0.5000  0.3409  1.0
  Ge  Ge3  4  0.0891  0.0000  0.3943  1.0
  Ge  Ge4  4  0.2098  0.5000  0.0423  1.0
]