data_[Zr10Be4Ge10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6266]
_cell_length_b [3.7797]
_cell_length_c [10.3275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5Be2Ge5]
_chemical_formula_sum '[Zr10 Be4 Ge10]'
_cell_volume [419.1339]
_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
[
  Zr  Zr0  4  0.1128  0.5000  0.9327  1
  Zr  Zr1  4  0.2133  0.5000  0.3496  1
  Zr  Zr2  2  0.0000  0.5000  0.5000  1
  Be  Be3  4  0.1419  0.0000  0.7594  1
  Ge  Ge4  4  0.0553  0.0000  0.3353  1
  Ge  Ge5  4  0.2448  0.5000  0.8052  1
  Ge  Ge6  2  0.0000  0.0000  0.0000  1
]