data_[Lu8Zr16Zn12C12]
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
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0378]
_cell_length_b [5.8048]
_cell_length_c [14.9282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Zr4(ZnC)3]
_chemical_formula_sum '[Lu8 Zr16 Zn12 C12]'
_cell_volume [846.6005]
_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  0.0453  0.4188  0.8948  1
  Zr  Zr1  8  0.1113  0.0896  0.0836  1
  Zr  Zr2  8  0.2248  0.0811  0.4164  1
  Zn  Zn3  8  0.2412  0.3442  0.2499  1
  Zn  Zn4  4  0.0000  0.0720  0.2500  1
  C  C5  8  0.0849  0.2454  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]