data_[Y2Tl4Fe2]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3592]
_cell_length_b [3.9851]
_cell_length_c [5.4398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTl2Fe]
_chemical_formula_sum '[Y2 Tl4 Fe2]'
_cell_volume [187.2838]
_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  0.5000  0.0000  1
  Tl  Tl1  4  0.2253  0.5000  0.7021  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
]