data_[Zr8Co16Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.8497]
_cell_length_b [8.7080]
_cell_length_c [14.8729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Zr(CoGe)2]
_chemical_formula_sum '[Zr8 Co16 Ge16]'
_cell_volume [628.0949]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.5000  1
  Co  Co1  16  0.0000  0.1645  0.0000  1
  Ge  Ge2  16  0.0000  0.0000  0.1261  1
]