data_[Ce12Ru4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [12.1202]
_cell_length_b [3.6480]
_cell_length_c [9.9110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3RuC]
_chemical_formula_sum '[Ce12 Ru4 C4]'
_cell_volume [431.2117]
_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  4  0.1234  0.5000  0.2194  1.0
  Ce  Ce1  4  0.1321  0.0000  0.9199  1.0
  Ce  Ce2  4  0.1470  0.5000  0.6046  1.0
  Ru  Ru3  4  0.0734  0.0000  0.3966  1.0
  C  C4  4  0.2444  0.5000  0.8513  1.0
]