data_[Sr6Co2C6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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/m]
_cell_length_a [8.7374]
_cell_length_b [8.7374]
_cell_length_c [5.4312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Sr3Co(CN)3]
_chemical_formula_sum '[Sr6 Co2 C6 N6]'
_cell_volume [359.0820]
_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
[
  Sr  Sr0  6  0.0658  0.6922  0.2500  1.0
  Co  Co1  2  0.3333  0.6667  0.7500  1.0
  C  C2  6  0.1480  0.6957  0.7500  1.0
  N  N3  6  0.0214  0.7232  0.7500  1.0
]