data_[Mg3Sc18Tc3]
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 [R-3m]
_cell_length_a [5.0374]
_cell_length_b [5.0374]
_cell_length_c [23.9991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [MgSc6Tc]
_chemical_formula_sum '[Mg3 Sc18 Tc3]'
_cell_volume [527.3919]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Sc  Sc1  6  0.0000  0.0000  0.1049  1
  Sc  Sc2  6  0.0000  0.0000  0.2356  1
  Sc  Sc3  6  0.0000  0.0000  0.3635  1
  Tc  Tc4  3  0.0000  0.0000  0.0000  1
]