data_[Ce1Sc1Tl1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3169]
_cell_length_b [3.3169]
_cell_length_c [8.0988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CeScTlRu]
_chemical_formula_sum '[Ce1 Sc1 Tl1 Ru1]'
_cell_volume [89.1038]
_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  0.7764  1.0
  Sc  Sc1  1  0.5000  0.5000  0.3656  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0922  1.0
  Ru  Ru3  1  0.0000  0.0000  0.5504  1.0
]