data_[Lu16Ti8Ga12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ti  1.5400  1.4000  0.8517
  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 [10.0886]
_cell_length_b [5.8251]
_cell_length_c [14.4682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Ti2(GaC)3]
_chemical_formula_sum '[Lu16 Ti8 Ga12 C12]'
_cell_volume [825.6870]
_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  0.1170  0.0784  0.0991  1
  Lu  Lu1  8  0.2137  0.0864  0.4007  1
  Ti  Ti2  8  0.0616  0.4137  0.9262  1
  Ga  Ga3  8  0.1304  0.4539  0.2500  1
  Ga  Ga4  4  0.0000  0.1547  0.7500  1
  C  C5  8  0.0765  0.2706  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]