data_[Ca2Ag2Ge4]
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 [P2_1/m]
_cell_length_a [4.4310]
_cell_length_b [4.3571]
_cell_length_c [9.3408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaAgGe2]
_chemical_formula_sum '[Ca2 Ag2 Ge4]'
_cell_volume [175.8996]
_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
[
  Ca  Ca0  2  0.3738  0.2500  0.7836  1.0
  Ag  Ag1  2  0.2581  0.7500  0.4988  1.0
  Ge  Ge2  2  0.1261  0.2500  0.0631  1.0
  Ge  Ge3  2  0.1617  0.2500  0.3310  1.0
]