data_[Ce2Sm4Cu8Ge8]
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
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1733]
_cell_length_b [4.2127]
_cell_length_c [24.3882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CeSm2(CuGe)4]
_chemical_formula_sum '[Ce2 Sm4 Cu8 Ge8]'
_cell_volume [428.7677]
_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  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.5000  0.1525  1
  Cu  Cu2  4  0.0000  0.0000  0.2501  1
  Cu  Cu3  4  0.0000  0.5000  0.4024  1
  Ge  Ge4  4  0.0000  0.0000  0.4472  1
  Ge  Ge5  4  0.0000  0.5000  0.3052  1
]