data_[Mg4Tc4P8N24]
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
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3406]
_cell_length_b [9.2749]
_cell_length_c [4.8816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgTc(PN3)2]
_chemical_formula_sum '[Mg4 Tc4 P8 N24]'
_cell_volume [414.2401]
_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
[
  Mg  Mg0  4  0.0000  0.0894  0.7500  1
  Tc  Tc1  4  0.0000  0.2603  0.2500  1
  P  P2  8  0.1972  0.4206  0.7996  1
  N  N3  8  0.1090  0.2884  0.6129  1
  N  N4  8  0.1261  0.1013  0.1528  1
  N  N5  8  0.1493  0.4306  0.1120  1
]