data_[Lu8Zr16Ga12C12]
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
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0926]
_cell_length_b [5.8268]
_cell_length_c [14.8364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Zr4(GaC)3]
_chemical_formula_sum '[Lu8 Zr16 Ga12 C12]'
_cell_volume [848.8649]
_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  0.0468  0.4180  0.3967  1
  Zr  Zr1  8  0.1116  0.0879  0.5845  1
  Zr  Zr2  8  0.2236  0.0818  0.9155  1
  Ga  Ga3  8  0.2263  0.6415  0.2506  1
  Ga  Ga4  4  0.0000  0.0409  0.7500  1
  C  C5  8  0.0843  0.2473  0.0002  1
  C  C6  4  0.2500  0.2500  0.5000  1
]