data_[Mg2Sc8Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9123]
_cell_length_b [4.9123]
_cell_length_c [13.5152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Mg(Sc2Tc)2]
_chemical_formula_sum '[Mg2 Sc8 Tc4]'
_cell_volume [282.4436]
_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  2  0.0000  0.0000  0.2500  1
  Sc  Sc1  4  0.3333  0.6667  0.3771  1
  Sc  Sc2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  2  0.3333  0.6667  0.7500  1
  Tc  Tc4  4  0.3333  0.6667  0.5634  1
]