data_[Ca4Si4Ru8C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8738]
_cell_length_b [11.0562]
_cell_length_c [7.1905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaSiRu2C]
_chemical_formula_sum '[Ca4 Si4 Ru8 C4]'
_cell_volume [307.9633]
_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
[
  Ca  Ca0  4  0.0000  0.4548  0.7500  1.0
  Si  Si1  4  0.0000  0.2704  0.2500  1.0
  Ru  Ru2  8  0.0000  0.1642  0.5553  1.0
  C  C3  4  0.0000  0.0000  0.0000  1.0
]