data_[Lu8Zr16Ge12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1750]
_cell_length_b [5.8767]
_cell_length_c [14.3765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Zr4(GeC)3]
_chemical_formula_sum '[Lu8 Zr16 Ge12 C12]'
_cell_volume [835.2908]
_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
[
  Lu  Lu0  8  0.0482  0.4180  0.3994  1
  Zr  Zr1  8  0.1128  0.0869  0.5884  1
  Zr  Zr2  8  0.2226  0.0814  0.9116  1
  Ge  Ge3  8  0.1897  0.3919  0.7509  1
  Ge  Ge4  4  0.0000  0.0368  0.2500  1
  C  C5  8  0.0852  0.2442  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]