data_[Lu2Co2C12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3770]
_cell_length_b [7.3770]
_cell_length_c [12.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [LuCo(CN)6]
_chemical_formula_sum '[Lu2 Co2 C12 N12]'
_cell_volume [604.1360]
_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
[
  Lu  Lu0  2  0.3333  0.6667  0.2500  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  C  C2  12  0.1188  0.2376  0.0840  1
  N  N3  12  0.1928  0.3856  0.1377  1
]