data_[Lu6Ir2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ir  2.2000  1.3500  0.7650
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6406]
_cell_length_b [4.5297]
_cell_length_c [12.6897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Lu3IrC4]
_chemical_formula_sum '[Lu6 Ir2 C8]'
_cell_volume [209.2636]
_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  0.0000  0.0000  0.1887  1.0
  Lu  Lu1  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.5000  0.5000  1.0
  C  C3  8  0.0000  0.1629  0.3746  1.0
]