data_[Sr4Tc4N12]
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 [Cc]
_cell_length_a [4.7047]
_cell_length_b [11.9583]
_cell_length_c [5.5920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [SrTcN3]
_chemical_formula_sum '[Sr4 Tc4 N12]'
_cell_volume [312.6049]
_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  0.0917  0.3450  0.0803  1
  Tc  Tc1  4  0.1738  0.0661  0.0090  1
  N  N2  4  0.0635  0.4004  0.5716  1
  N  N3  4  0.0935  0.0710  0.6710  1
  N  N4  4  0.3001  0.3489  0.5647  1
]