data_[Sc2Zn2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.2271]
_cell_length_b [4.5209]
_cell_length_c [8.8360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ScZnTc2]
_chemical_formula_sum '[Sc2 Zn2 Tc4]'
_cell_volume [128.9132]
_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  0.5000  0.7608  1
  Zn  Zn1  2  0.0000  0.0000  0.4869  1
  Tc  Tc2  2  0.0000  0.0000  0.0109  1
  Tc  Tc3  2  0.0000  0.5000  0.2414  1
]