data_[Ca2Cd1Cu4Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2331]
_cell_length_b [4.2331]
_cell_length_c [10.3637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ca2CdCu4Ge3]
_chemical_formula_sum '[Ca2 Cd1 Cu4 Ge3]'
_cell_volume [185.7131]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.7645  1.0
  Cd  Cd1  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.3550  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu4  1  0.5000  0.5000  0.0000  1.0
  Ge  Ge5  2  0.0000  0.5000  0.1253  1.0
  Ge  Ge6  1  0.0000  0.0000  0.5000  1.0
]