data_[Ce1Y1Tl1Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0727]
_cell_length_b [4.0727]
_cell_length_c [7.1148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CeYTlSn]
_chemical_formula_sum '[Ce1 Y1 Tl1 Sn1]'
_cell_volume [118.0135]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.5000  0.5000  0.1158  1.0
  Y  Y1  1  0.5000  0.5000  0.5979  1.0
  Tl  Tl2  1  0.0000  0.0000  0.8432  1.0
  Sn  Sn3  1  0.0000  0.0000  0.3710  1.0
]