data_[Ce7Tl1Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3370]
_cell_length_b [5.3370]
_cell_length_c [11.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ce7TlPb2]
_chemical_formula_sum '[Ce7 Tl1 Pb2]'
_cell_volume [294.5389]
_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  0.0000  0.0000  0.2506  1
  Ce  Ce1  1  0.0000  0.0000  0.6395  1
  Ce  Ce2  1  0.3333  0.6667  0.0571  1
  Ce  Ce3  1  0.3333  0.6667  0.4566  1
  Ce  Ce4  1  0.6667  0.3333  0.0789  1
  Ce  Ce5  1  0.6667  0.3333  0.6223  1
  Ce  Ce6  1  0.6667  0.3333  0.8529  1
  Tl  Tl7  1  0.0000  0.0000  0.9652  1
  Pb  Pb8  1  0.3333  0.6667  0.7423  1
  Pb  Pb9  1  0.6667  0.3333  0.3512  1
]