data_[La2Ru2C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4727]
_cell_length_b [5.4775]
_cell_length_c [5.9966]
_cell_angle_alpha [103.7284]
_cell_angle_beta [105.2740]
_cell_angle_gamma [110.4967]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaRuC2]
_chemical_formula_sum '[La2 Ru2 C4]'
_cell_volume [123.6045]
_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
[
  La  La0  1  0.0836  0.1965  0.2138  1
  La  La1  1  0.6157  0.9199  0.5587  1
  Ru  Ru2  1  0.0961  0.6455  0.8526  1
  Ru  Ru3  1  0.4884  0.3964  0.9138  1
  C  C4  1  0.2794  0.0112  0.8508  1
  C  C5  1  0.7706  0.4339  0.4835  1
  C  C6  1  0.8004  0.5316  0.2935  1
  C  C7  1  0.9948  0.6882  0.1841  1
]