data_[Ce8Mo4C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.6370]
_cell_length_b [6.8318]
_cell_length_c [5.4776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce2MoC3]
_chemical_formula_sum '[Ce8 Mo4 C12]'
_cell_volume [360.6318]
_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
[
  Ce  Ce0  8  0.1606  0.3349  0.2500  1
  Mo  Mo1  4  0.0000  0.0895  0.7500  1
  C  C2  8  0.1613  0.0000  0.0000  1
  C  C3  4  0.0000  0.3676  0.7500  1
]