data_[Ce4Sm4Ru6]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0105]
_cell_length_b [4.3767]
_cell_length_c [7.3890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Sm2Ru3]
_chemical_formula_sum '[Ce4 Sm4 Ru6]'
_cell_volume [351.2134]
_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  0.1321  0.5000  0.8996  1.0
  Sm  Sm1  4  0.1296  0.0000  0.3640  1.0
  Ru  Ru2  4  0.1889  0.0000  0.7565  1.0
  Ru  Ru3  2  0.0000  0.0000  0.0000  1.0
]