data_[Ce12Ga4Sn2]
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 [P-1]
_cell_length_a [8.2505]
_cell_length_b [8.3192]
_cell_length_c [8.7574]
_cell_angle_alpha [112.5975]
_cell_angle_beta [114.0058]
_cell_angle_gamma [98.9722]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce6Ga2Sn]
_chemical_formula_sum '[Ce12 Ga4 Sn2]'
_cell_volume [470.9110]
_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  0.0504  0.2619  0.6766  1
  Ce  Ce1  2  0.2149  0.4453  0.1706  1
  Ce  Ce2  2  0.2717  0.2262  0.5036  1
  Ce  Ce3  2  0.3058  0.0361  0.8384  1
  Ce  Ce4  2  0.3163  0.8180  0.0992  1
  Ce  Ce5  2  0.4187  0.6137  0.6678  1
  Ga  Ga6  2  0.0365  0.6304  0.6623  1
  Ga  Ga7  2  0.3749  0.8700  0.4897  1
  Sn  Sn8  1  0.0000  0.0000  0.0000  1
  Sn  Sn9  1  0.5000  0.5000  0.0000  1
]