data_[Sc2Tc2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tc  1.9000  1.3500  0.7417
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.3159]
_cell_length_b [5.4933]
_cell_length_c [9.4524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ScTcCl2]
_chemical_formula_sum '[Sc2 Tc2 Cl4]'
_cell_volume [172.1773]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.5126  1
  Tc  Tc1  2  0.0000  0.5000  0.7419  1
  Cl  Cl2  2  0.0000  0.0000  0.9288  1
  Cl  Cl3  2  0.0000  0.5000  0.3166  1
]