data_[Ni2Ru2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.6928]
_cell_length_b [2.8277]
_cell_length_c [4.4222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.2722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiRuC]
_chemical_formula_sum '[Ni2 Ru2 C2]'
_cell_volume [64.7891]
_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
[
  Ni  Ni0  2  0.2512  0.0000  0.3039  1
  Ru  Ru1  2  0.2566  0.5000  0.8101  1
  C  C2  2  0.0056  0.5000  0.2093  1
]