data_[Ce8Tl4Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4428]
_cell_length_b [3.4598]
_cell_length_c [8.0177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2TlNi]
_chemical_formula_sum '[Ce8 Tl4 Ni4]'
_cell_volume [370.9703]
_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  0.0662  0.0000  0.3025  1.0
  Ce  Ce1  4  0.2439  0.0000  0.6858  1.0
  Tl  Tl2  4  0.1137  0.5000  0.9488  1.0
  Ni  Ni3  4  0.0861  0.5000  0.5931  1.0
]