data_[Th4Mg8Tc4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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 [Cmcm]
_cell_length_a [3.4096]
_cell_length_b [11.5492]
_cell_length_c [10.6577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThMg2TcN4]
_chemical_formula_sum '[Th4 Mg8 Tc4 N16]'
_cell_volume [419.6871]
_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
[
  Th  Th0  4  0.0000  0.0909  0.7500  1
  Mg  Mg1  8  0.0000  0.3847  0.5346  1
  Tc  Tc2  4  0.0000  0.1706  0.2500  1
  N  N3  8  0.0000  0.2862  0.1254  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4215  0.7500  1
]