data_[Y16Fe12Mo8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [9.8362]
_cell_length_b [5.6948]
_cell_length_c [14.3577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Fe3Mo2C3]
_chemical_formula_sum '[Y16 Fe12 Mo8 C12]'
_cell_volume [783.4526]
_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
[
  Y  Y0  8  0.0442  0.0806  0.8801  1
  Y  Y1  8  0.2241  0.4072  0.4039  1
  Fe  Fe2  8  0.2349  0.3497  0.7467  1
  Fe  Fe3  4  0.0000  0.4542  0.2500  1
  Mo  Mo4  8  0.1135  0.4074  0.0752  1
  C  C5  8  0.0679  0.2736  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]