data_[Ce4Zr4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7705]
_cell_length_b [3.4820]
_cell_length_c [8.4226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeZrTl]
_chemical_formula_sum '[Ce4 Zr4 Tl4]'
_cell_volume [299.0042]
_cell_formula_units_Z [4]
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  4  0.1783  0.5000  0.5641  1.0
  Zr  Zr1  4  0.1647  0.5000  0.0832  1.0
  Tl  Tl2  4  0.0168  0.0000  0.7687  1.0
]