data_[Mg24Tc16]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.9444]
_cell_length_b [15.1474]
_cell_length_c [4.6130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Mg3Tc2]
_chemical_formula_sum '[Mg24 Tc16]'
_cell_volume [694.8613]
_cell_formula_units_Z [8]
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  16  0.0271  0.3977  0.0907  1
  Mg  Mg1  8  0.0000  0.0000  0.0883  1
  Tc  Tc2  16  0.0092  0.2860  0.6152  1
]