data_[Ca2Fe4Ru2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  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 [12.7772]
_cell_length_b [2.9583]
_cell_length_c [4.3077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaFe2RuC4]
_chemical_formula_sum '[Ca2 Fe4 Ru2 C8]'
_cell_volume [158.8990]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  4  0.1789  0.0000  0.5693  1
  Ru  Ru2  2  0.0000  0.5000  0.5000  1
  C  C3  4  0.1446  0.5000  0.8654  1
  C  C4  4  0.1751  0.5000  0.2005  1
]