data_[Sr8Ga8Ge4]
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 [12.1822]
_cell_length_b [4.2763]
_cell_length_c [11.6413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Ga2Ge]
_chemical_formula_sum '[Sr8 Ga8 Ge4]'
_cell_volume [558.1960]
_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  4  0.1003  0.0000  0.8970  1.0
  Sr  Sr1  4  0.2095  0.5000  0.6411  1.0
  Ga  Ga2  4  0.0216  0.0000  0.4053  1.0
  Ga  Ga3  4  0.1237  0.5000  0.1191  1.0
  Ge  Ge4  4  0.0729  0.5000  0.3184  1.0
]