data_[Ba2Pm2Tc2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0550]
_cell_length_b [5.9210]
_cell_length_c [7.4876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaPmTcN4]
_chemical_formula_sum '[Ba2 Pm2 Tc2 N8]'
_cell_volume [257.2981]
_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
[
  Ba  Ba0  2  0.2818  0.2500  0.0735  1
  Pm  Pm1  2  0.2107  0.2500  0.5496  1
  Tc  Tc2  2  0.2480  0.7500  0.3287  1
  N  N3  4  0.0503  0.5080  0.2937  1
  N  N4  2  0.4345  0.7500  0.5623  1
  N  N5  2  0.4350  0.7500  0.1753  1
]