data_[Ce3Tl2In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.0177]
_cell_length_b [8.0177]
_cell_length_c [4.5958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ce3(TlIn2)2]
_chemical_formula_sum '[Ce3 Tl2 In4]'
_cell_volume [255.8536]
_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  3  0.0000  0.6009  0.5000  1.0
  Tl  Tl1  2  0.3333  0.6667  0.0000  1.0
  In  In2  3  0.0000  0.2519  0.0000  1.0
  In  In3  1  0.0000  0.0000  0.5000  1.0
]