data_[Ce12Ga4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3936]
_cell_length_b [4.2951]
_cell_length_c [8.7022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3GaSe]
_chemical_formula_sum '[Ce12 Ga4 Se4]'
_cell_volume [549.2021]
_cell_formula_units_Z [4]
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  0.0642  0.0000  0.1804  1
  Ce  Ce1  4  0.1196  0.5000  0.0100  1
  Ce  Ce2  4  0.1282  0.0000  0.6069  1
  Ga  Ga3  4  0.0130  0.5000  0.3598  1
  Se  Se4  4  0.2429  0.5000  0.7989  1
]