data_[Zr8Cu4Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8369]
_cell_length_b [33.5589]
_cell_length_c [3.8120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr2CuGe4]
_chemical_formula_sum '[Zr8 Cu4 Ge16]'
_cell_volume [490.8317]
_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
[
  Zr  Zr0  4  0.0000  0.0472  0.7500  1
  Zr  Zr1  4  0.0000  0.3224  0.7500  1
  Cu  Cu2  4  0.0000  0.2501  0.2500  1
  Ge  Ge3  4  0.0000  0.1132  0.2500  1
  Ge  Ge4  4  0.0000  0.2024  0.7500  1
  Ge  Ge5  4  0.0000  0.3871  0.2500  1
  Ge  Ge6  4  0.0000  0.4728  0.7500  1
]