data_[Ba2Sc2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sc  1.3600  1.6000  0.8850
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6549]
_cell_length_b [3.8153]
_cell_length_c [6.5251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaScTc2]
_chemical_formula_sum '[Ba2 Sc2 Tc4]'
_cell_volume [227.3475]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1
  Sc  Sc1  2  0.0000  0.5000  0.0000  1
  Tc  Tc2  4  0.2463  0.5000  0.8930  1
]