data_[Tm2P4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5167]
_cell_length_b [5.7084]
_cell_length_c [5.7242]
_cell_angle_alpha [97.8818]
_cell_angle_beta [113.2670]
_cell_angle_gamma [104.6551]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tm(PN2)2]
_chemical_formula_sum '[Tm2 P4 N8]'
_cell_volume [154.4128]
_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  1  0.2257  0.5194  0.7764  1
  Tm  Tm1  1  0.9824  0.9671  0.9481  1
  P  P2  1  0.0944  0.5969  0.2862  1
  P  P3  1  0.5699  0.1849  0.8938  1
  P  P4  1  0.5975  0.3202  0.4411  1
  P  P5  1  0.6920  0.8277  0.3595  1
  N  N6  1  0.3436  0.7491  0.1980  1
  N  N7  1  0.4168  0.2735  0.6128  1
  N  N8  1  0.4370  0.2746  0.1060  1
  N  N9  1  0.5100  0.8960  0.8219  1
  N  N10  1  0.7823  0.6340  0.5709  1
  N  N11  1  0.8066  0.1381  0.5015  1
  N  N12  1  0.8817  0.7758  0.2140  1
  N  N13  1  0.9100  0.3428  0.0199  1
]