data_[Sm1Y1Cu2Si1Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2038]
_cell_length_b [4.2038]
_cell_length_c [7.6329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmYCu2SiGe]
_chemical_formula_sum '[Sm1 Y1 Cu2 Si1 Ge1]'
_cell_volume [116.8143]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.6667  0.3333  0.0021  1
  Y  Y1  1  0.6667  0.3333  0.4981  1
  Cu  Cu2  1  0.0000  0.0000  0.2588  1
  Si  Si3  1  0.3333  0.6667  0.2556  1
  Cu  Cu4  1  0.3333  0.6667  0.7410  1
  Ge  Ge5  1  0.0000  0.0000  0.7443  1
]