data_[Mn2Co8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7992]
_cell_length_b [4.8141]
_cell_length_c [7.6376]
_cell_angle_alpha [85.4252]
_cell_angle_beta [72.4592]
_cell_angle_gamma [73.6251]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn(CoN)4]
_chemical_formula_sum '[Mn2 Co8 N8]'
_cell_volume [161.4265]
_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
[
  Mn  Mn0  2  0.3784  0.3039  0.7770  1
  Co  Co1  2  0.0044  0.7811  0.4268  1
  Co  Co2  2  0.1384  0.2423  0.2162  1
  Co  Co3  2  0.1922  0.7409  0.0465  1
  Co  Co4  2  0.4802  0.7305  0.5820  1
  N  N5  2  0.1829  0.5099  0.6075  1
  N  N6  2  0.1965  0.1300  0.9815  1
  N  N7  2  0.3238  0.9787  0.3815  1
  N  N8  2  0.4654  0.4302  0.1619  1
]