data_[Tm4Co4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7323]
_cell_length_b [3.6370]
_cell_length_c [7.3506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmCoN3]
_chemical_formula_sum '[Tm4 Co4 N12]'
_cell_volume [274.7181]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  4  0.1675  0.0000  0.8132  1.0
  Co  Co1  4  0.0460  0.5000  0.1627  1.0
  N  N2  4  0.1119  0.5000  0.3996  1.0
  N  N3  4  0.1345  0.5000  0.9763  1.0
  N  N4  4  0.1496  0.5000  0.5677  1.0
]