data_[Ce2Sm1Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.8192]
_cell_length_b [8.8192]
_cell_length_c [3.8824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Ce2SmTl6]
_chemical_formula_sum '[Ce2 Sm1 Tl6]'
_cell_volume [261.5106]
_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  0.3333  0.6667  0.0000  1.0
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  6  0.0000  0.3326  0.3700  1.0
]