data_[Sc4Cu4Ge8O26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8712]
_cell_length_b [8.6272]
_cell_length_c [12.3521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc2Cu2Ge4O13]
_chemical_formula_sum '[Sc4 Cu4 Ge8 O26]'
_cell_volume [516.7424]
_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
[
  Sc  Sc0  4  0.0479  0.0574  0.8712  1
  Cu  Cu1  4  0.0473  0.5040  0.6213  1
  Ge  Ge2  2  0.3418  0.2500  0.2538  1
  Ge  Ge3  2  0.4014  0.7500  0.9882  1
  Ge  Ge4  2  0.4090  0.2500  0.4934  1
  Ge  Ge5  2  0.4991  0.2500  0.7312  1
  O  O6  4  0.1322  0.0839  0.2514  1
  O  O7  4  0.2075  0.0812  0.4957  1
  O  O8  4  0.2149  0.5773  0.9981  1
  O  O9  4  0.2933  0.0831  0.7389  1
  O  O10  2  0.2083  0.7500  0.1751  1
  O  O11  2  0.2832  0.2500  0.9318  1
  O  O12  2  0.3405  0.7500  0.3937  1
  O  O13  2  0.4187  0.7500  0.6268  1
  O  O14  2  0.4375  0.7500  0.8474  1
]