data_[Ce2Tl2Ga2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8362]
_cell_length_b [6.7957]
_cell_length_c [9.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeTlGaSe4]
_chemical_formula_sum '[Ce2 Tl2 Ga2 Se8]'
_cell_volume [403.2544]
_cell_formula_units_Z [2]
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  0.2363  0.7500  0.5565  1.0
  Tl  Tl1  2  0.2491  0.7500  0.0588  1.0
  Ga  Ga2  2  0.2297  0.2500  0.3251  1.0
  Se  Se3  4  0.0179  0.0159  0.7136  1.0
  Se  Se4  2  0.4338  0.2500  0.1544  1.0
  Se  Se5  2  0.4445  0.2500  0.5913  1.0
]