data_[Ca8Ag4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9410]
_cell_length_b [4.5399]
_cell_length_c [10.7107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2AgGe2]
_chemical_formula_sum '[Ca8 Ag4 Ge8]'
_cell_volume [469.7447]
_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
[
  Ca  Ca0  4  0.0141  0.5000  0.3290  1.0
  Ca  Ca1  4  0.1854  0.5000  0.1047  1.0
  Ag  Ag2  4  0.2264  0.0000  0.3490  1.0
  Ge  Ge3  4  0.0211  0.0000  0.8903  1.0
  Ge  Ge4  4  0.1310  0.0000  0.5630  1.0
]