data_[Sc2Co2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9995]
_cell_length_b [2.8048]
_cell_length_c [4.8508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScCoTc2]
_chemical_formula_sum '[Sc2 Co2 Tc4]'
_cell_volume [119.5399]
_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  0.2701  0.5000  0.3027  1
  Co  Co1  2  0.0159  0.5000  0.4545  1
  Tc  Tc2  2  0.2246  0.0000  0.7825  1
  Tc  Tc3  2  0.4894  0.5000  0.9603  1
]