data_[Sr4Cu12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7303]
_cell_length_b [4.1028]
_cell_length_c [7.2903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCu3Ge2]
_chemical_formula_sum '[Sr4 Cu12 Ge8]'
_cell_volume [428.3365]
_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  0.1520  0.0000  0.0737  1.0
  Cu  Cu1  4  0.0298  0.0000  0.3685  1.0
  Cu  Cu2  4  0.0872  0.5000  0.6460  1.0
  Cu  Cu3  4  0.1884  0.5000  0.4539  1.0
  Ge  Ge4  4  0.0229  0.5000  0.1916  1.0
  Ge  Ge5  4  0.1836  0.0000  0.6599  1.0
]