data_[Y2Tl2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9989]
_cell_length_b [9.4786]
_cell_length_c [2.9926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTlTc2]
_chemical_formula_sum '[Y2 Tl2 Tc4]'
_cell_volume [153.9377]
_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
[
  Y  Y0  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  2  0.0000  0.5000  0.5000  1
  Tc  Tc2  4  0.2500  0.2500  0.0000  1
]