data_[Sm16Zn2Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8994]
_cell_length_b [5.1753]
_cell_length_c [6.8980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8ZnCu2]
_chemical_formula_sum '[Sm16 Zn2 Cu4]'
_cell_volume [609.7290]
_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
[
  Sm  Sm0  4  0.0315  0.0000  0.7799  1.0
  Sm  Sm1  4  0.0920  0.5000  0.4651  1.0
  Sm  Sm2  4  0.1732  0.5000  0.9899  1.0
  Sm  Sm3  4  0.1967  0.0000  0.3303  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu5  4  0.1802  0.0000  0.7240  1.0
]