data_[Ca2Nd2Cu4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1717]
_cell_length_b [4.2702]
_cell_length_c [17.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaNd(CuGe2)2]
_chemical_formula_sum '[Ca2 Nd2 Cu4 Ge8]'
_cell_volume [312.7226]
_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  0.0000  0.0000  0.8950  1
  Nd  Nd1  2  0.5000  0.0000  0.1048  1
  Cu  Cu2  2  0.0000  0.0000  0.6742  1
  Cu  Cu3  2  0.5000  0.0000  0.3258  1
  Ge  Ge4  2  0.0000  0.0000  0.2490  1
  Ge  Ge5  2  0.0000  0.0000  0.5395  1
  Ge  Ge6  2  0.5000  0.0000  0.4610  1
  Ge  Ge7  2  0.5000  0.0000  0.7507  1
]