data_[Sr2Ce2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.2959]
_cell_length_b [5.2959]
_cell_length_c [9.8985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [SrCeGe3]
_chemical_formula_sum '[Sr2 Ce2 Ge6]'
_cell_volume [277.6150]
_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  2  0.0000  0.0000  0.0102  1
  Ce  Ce1  2  0.0000  0.0000  0.6448  1
  Ge  Ge2  4  0.0000  0.5000  0.3087  1
  Ge  Ge3  2  0.0000  0.0000  0.3379  1
]