data_[Ce4Mn4C8]
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 [Cc]
_cell_length_a [5.5315]
_cell_length_b [5.5383]
_cell_length_c [7.5669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CeMnC2]
_chemical_formula_sum '[Ce4 Mn4 C8]'
_cell_volume [227.2286]
_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  0.4944  0.4312  0.0033  1
  Mn  Mn1  4  0.4438  0.0675  0.3052  1
  C  C2  4  0.0235  0.4187  0.0703  1
  C  C3  4  0.1718  0.3139  0.2242  1
]