data_[Tm1In3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3443]
_cell_length_b [19.9447]
_cell_length_c [9.6042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tm(InN)3]
_chemical_formula_sum '[Tm1 In3 N3]'
_cell_volume [633.8824]
_cell_formula_units_Z [1]
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  0.8679  0.0000  0.4302  1
  In  In1  2  0.4386  0.1240  0.6003  1
  In  In2  1  0.0137  0.0000  0.7819  1
  N  N3  2  0.2823  0.0293  0.2228  1
  N  N4  1  0.4260  0.0000  0.5700  1
]