data_[Ca4Ag4Ge4]
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 [10.7437]
_cell_length_b [4.5744]
_cell_length_c [7.3595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaAgGe]
_chemical_formula_sum '[Ca4 Ag4 Ge4]'
_cell_volume [267.3064]
_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  0.0425  0.5000  0.7877  1
  Ag  Ag1  4  0.1746  0.0000  0.6179  1
  Ge  Ge2  4  0.1538  0.0000  0.2024  1
]