data_[Ga4Tc4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3042]
_cell_length_b [3.1082]
_cell_length_c [9.2524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaTcN]
_chemical_formula_sum '[Ga4 Tc4 N4]'
_cell_volume [224.2548]
_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
[
  Ga  Ga0  4  0.1785  0.0000  0.0848  1
  Tc  Tc1  4  0.0338  0.0000  0.7698  1
  N  N2  4  0.0596  0.5000  0.3270  1
]