data_[Cu2Ni2H2Ru2C2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2465]
_cell_length_b [3.8212]
_cell_length_c [11.4164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CuNiHRuCSe]
_chemical_formula_sum '[Cu2 Ni2 H2 Ru2 C2 Se2]'
_cell_volume [141.6252]
_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
[
  Cu  Cu0  2  0.0000  0.5000  0.4972  1
  Ni  Ni1  2  0.0000  0.0000  0.6656  1
  H  H2  2  0.0000  0.0000  0.8893  1
  Ru  Ru3  2  0.0000  0.5000  0.9021  1
  Se  Se4  2  0.0000  0.0000  0.2119  1
  C  C5  2  0.0000  0.0000  0.4998  1
]