data_[Tm2Cr2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3019]
_cell_length_b [5.4070]
_cell_length_c [5.7822]
_cell_angle_alpha [114.9080]
_cell_angle_beta [105.7361]
_cell_angle_gamma [94.9667]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmCrN3]
_chemical_formula_sum '[Tm2 Cr2 N6]'
_cell_volume [114.2671]
_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
[
  Tm  Tm0  2  0.1279  0.3607  0.7156  1
  Cr  Cr1  2  0.3561  0.1185  0.1483  1
  N  N2  2  0.1970  0.8382  0.7773  1
  N  N3  2  0.3027  0.4328  0.1548  1
  N  N4  2  0.3709  0.0324  0.4315  1
]