data_[Ce8Sm2Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2002]
_cell_length_b [4.4846]
_cell_length_c [4.6575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4SmGa3]
_chemical_formula_sum '[Ce8 Sm2 Ga6]'
_cell_volume [390.7666]
_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  0.1368  0.0000  0.1961  1.0
  Ce  Ce1  4  0.1371  0.5000  0.5848  1.0
  Sm  Sm2  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga3  4  0.2495  0.5000  0.1925  1.0
  Ga  Ga4  2  0.0000  0.0000  0.5000  1.0
]