data_[Ce4Tl5Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1467]
_cell_length_b [3.7060]
_cell_length_c [9.9754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4Tl5Pd2]
_chemical_formula_sum '[Ce4 Tl5 Pd2]'
_cell_volume [300.3476]
_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  2  0.1927  0.5000  0.8508  1.0
  Ce  Ce1  2  0.2226  0.5000  0.4294  1.0
  Tl  Tl2  2  0.1547  0.0000  0.1396  1.0
  Tl  Tl3  2  0.4555  0.0000  0.6678  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Pd  Pd5  2  0.0769  0.0000  0.6345  1.0
]