data_[Sc4Tc2Ag2]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0234]
_cell_length_b [3.4153]
_cell_length_c [4.6126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc2TcAg]
_chemical_formula_sum '[Sc4 Tc2 Ag2]'
_cell_volume [150.2536]
_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  0.2694  0.5000  0.3092  1
  Sc  Sc1  2  0.4918  0.5000  0.9587  1
  Tc  Tc2  2  0.4976  0.0000  0.4515  1
  Ag  Ag3  2  0.2412  0.0000  0.7806  1
]