data_[Ba2Mg4Tc2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6774]
_cell_length_b [5.7249]
_cell_length_c [5.6949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaMg2TcN4]
_chemical_formula_sum '[Ba2 Mg4 Tc2 N8]'
_cell_volume [250.3060]
_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  0.0000  0.8138  0.4891  1
  Mg  Mg1  4  0.2450  0.6740  0.9969  1
  Tc  Tc2  2  0.0000  0.2086  0.0042  1
  N  N3  4  0.1910  0.3433  0.8544  1
  N  N4  2  0.0000  0.2667  0.3285  1
  N  N5  2  0.0000  0.8785  0.9755  1
]