data_[Sr4Tc4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6567]
_cell_length_b [3.6126]
_cell_length_c [10.8163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrTcN2]
_chemical_formula_sum '[Sr4 Tc4 N8]'
_cell_volume [221.0321]
_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
[
  Sr  Sr0  4  0.1023  0.7500  0.8669  1
  Tc  Tc1  4  0.0930  0.2500  0.6236  1
  N  N2  4  0.1477  0.7500  0.2517  1
  N  N3  4  0.1608  0.7500  0.5379  1
]