data_[Mg4Tc2W2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.9035]
_cell_length_b [5.7365]
_cell_length_c [5.1520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Mg2TcWN4]
_chemical_formula_sum '[Mg4 Tc2 W2 N8]'
_cell_volume [204.0266]
_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
[
  Mg  Mg0  4  0.2375  0.6671  0.9967  1
  Tc  Tc1  2  0.0000  0.8480  0.4228  1
  W  W2  2  0.0000  0.1518  0.0131  1
  N  N3  4  0.2387  0.3039  0.9147  1
  N  N4  2  0.0000  0.1862  0.3938  1
  N  N5  2  0.0000  0.8487  0.8475  1
]