data_[Sr4Ca4Ge8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5237]
_cell_length_b [10.4432]
_cell_length_c [5.4873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrCa(GeO3)2]
_chemical_formula_sum '[Sr4 Ca4 Ge8 O24]'
_cell_volume [595.4441]
_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  0.0000  0.1034  0.2500  1.0
  Ca  Ca1  4  0.0000  0.3032  0.7500  1.0
  Ge  Ge2  8  0.2086  0.4115  0.2719  1.0
  O  O3  8  0.1209  0.2847  0.1333  1.0
  O  O4  8  0.1235  0.1028  0.6765  1.0
  O  O5  8  0.1567  0.4480  0.5722  1.0
]