data_[Ce12Ga2Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3080]
_cell_length_b [6.8228]
_cell_length_c [11.7071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce6GaSn]
_chemical_formula_sum '[Ce12 Ga2 Sn2]'
_cell_volume [423.9745]
_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  4  0.0000  0.2461  0.6551  1.0
  Ce  Ce1  4  0.5000  0.2384  0.8477  1.0
  Ce  Ce2  2  0.0000  0.0000  0.4303  1.0
  Ce  Ce3  2  0.5000  0.0000  0.0633  1.0
  Ga  Ga4  2  0.0000  0.0000  0.9104  1.0
  Sn  Sn5  2  0.5000  0.0000  0.5908  1.0
]