data_[Ce6Sm6Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1662]
_cell_length_b [11.1107]
_cell_length_c [11.1047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce3Sm3Ge4]
_chemical_formula_sum '[Ce6 Sm6 Ge8]'
_cell_volume [514.0240]
_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  0.2474  0.2486  1
  Ce  Ce1  2  0.5000  0.0000  0.1697  1
  Sm  Sm2  4  0.5000  0.1670  0.5002  1
  Sm  Sm3  2  0.5000  0.0000  0.8317  1
  Ge  Ge4  4  0.0000  0.1303  0.0003  1
  Ge  Ge5  2  0.0000  0.0000  0.3693  1
  Ge  Ge6  2  0.0000  0.0000  0.6310  1
]