data_[Zr8Co12Ge16]
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 [Cmce]
_cell_length_a [5.3977]
_cell_length_b [13.9974]
_cell_length_c [7.0266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Zr2Co3Ge4]
_chemical_formula_sum '[Zr8 Co12 Ge16]'
_cell_volume [530.8874]
_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  8  0.0000  0.1087  0.5957  1.0
  Co  Co1  8  0.2500  0.2265  0.2500  1.0
  Co  Co2  4  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  8  0.0000  0.1833  0.9717  1.0
  Ge  Ge4  8  0.2500  0.0567  0.2500  1.0
]