data_[Ce9Tl1Ga2]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7004]
_cell_length_b [4.7004]
_cell_length_c [14.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce9TlGa2]
_chemical_formula_sum '[Ce9 Tl1 Ga2]'
_cell_volume [311.4045]
_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  4  0.0000  0.5000  0.1766  1
  Ce  Ce1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  2  0.5000  0.5000  0.3374  1
  Ce  Ce3  1  0.5000  0.5000  0.0000  1
  Tl  Tl4  1  0.0000  0.0000  0.0000  1
  Ga  Ga5  2  0.0000  0.0000  0.3372  1
]