data_[Lu6Ru2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3094]
_cell_length_b [3.4220]
_cell_length_c [4.1879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu3RuC4]
_chemical_formula_sum '[Lu6 Ru2 C8]'
_cell_volume [229.6244]
_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
[
  Lu  Lu0  4  0.1773  0.0000  0.2072  1
  Lu  Lu1  2  0.0000  0.0000  0.5000  1
  Ru  Ru2  2  0.0000  0.5000  0.0000  1
  C  C3  4  0.1044  0.5000  0.8168  1
  C  C4  4  0.1787  0.5000  0.7183  1
]