data_[Lu16Fe12Mo8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5910]
_cell_length_b [5.5597]
_cell_length_c [14.0942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Fe3Mo2C3]
_chemical_formula_sum '[Lu16 Fe12 Mo8 C12]'
_cell_volume [733.3808]
_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  0.0455  0.0811  0.8800  1
  Lu  Lu1  8  0.2255  0.4097  0.4055  1
  Fe  Fe2  8  0.2490  0.1640  0.2483  1
  Fe  Fe3  4  0.0000  0.4226  0.2500  1
  Mo  Mo4  8  0.1126  0.4069  0.0782  1
  C  C5  8  0.0707  0.2660  0.5003  1
  C  C6  4  0.2500  0.2500  0.0000  1
]