data_[Ce4Mn4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6303]
_cell_length_b [3.2925]
_cell_length_c [5.5338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Mn2C3]
_chemical_formula_sum '[Ce4 Mn4 C6]'
_cell_volume [186.7072]
_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
[
  Ce  Ce0  4  0.0987  0.5000  0.7951  1.0
  Mn  Mn1  4  0.1645  0.0000  0.3216  1.0
  C  C2  4  0.2475  0.5000  0.2802  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]