data_[Y2Sc14Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2954]
_cell_length_b [5.3486]
_cell_length_c [10.4703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YSc7Tl4]
_chemical_formula_sum '[Y2 Sc14 Tl8]'
_cell_volume [615.0739]
_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  0.0000  1
  Sc  Sc1  4  0.0555  0.0000  0.3784  1
  Sc  Sc2  4  0.1772  0.5000  0.6026  1
  Sc  Sc3  4  0.2172  0.0000  0.8784  1
  Sc  Sc4  2  0.0000  0.5000  0.0000  1
  Tl  Tl5  4  0.0775  0.5000  0.7820  1
  Tl  Tl6  4  0.1949  0.5000  0.3269  1
]