data_[Ca4Ag8Ge4]
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 [Cm]
_cell_length_a [10.4628]
_cell_length_b [4.5217]
_cell_length_c [7.2897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaAg2Ge]
_chemical_formula_sum '[Ca4 Ag8 Ge4]'
_cell_volume [344.7051]
_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  2  0.1302  0.0000  0.4642  1.0
  Ca  Ca1  2  0.2892  0.0000  0.9808  1.0
  Ag  Ag2  2  0.0026  0.0000  0.0030  1.0
  Ag  Ag3  2  0.0681  0.5000  0.7646  1.0
  Ag  Ag4  2  0.3219  0.5000  0.2989  1.0
  Ag  Ag5  2  0.3485  0.5000  0.6824  1.0
  Ge  Ge6  2  0.0883  0.5000  0.1550  1.0
  Ge  Ge7  2  0.4264  0.0000  0.4342  1.0
]